General Information of the Compound
| Compound ID |
CP0001940
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| Compound Name |
(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
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| Synonyms |
14-Hydroxydaunomycin
14-Hydroxydaunorubicine
23214-92-8
5,12-Naphthacenedione,
ADM
ADR
Adiblastine (hydrochloride salt)
Adr iablatina (hydrochloride salt)
Adriablastin
Adriablastine (hydrochloride salt)
Adriablatina (hydrochloride salt)
Adriacin (hydrochloride salt)
Adriamycin PFS (TN)
Adriamycin PFS (hydrochloride salt)
Adriamycin RDF (TN)
Adriamycin RDF (hydrochloride salt)
Adriamycin semiquinone
Adriblastina (TN)
Adriblastina (hydrochloride salt)
Adriblatina (hydrochloride salt)
Aerosolized Doxorubicin
CCRIS 739
CHEBI:28748
CHEMBL53463
Caelyx (TN)
Cantide + adriamycin
Conjugate of doxorubicin with humanized monoclonal antibody LL1 against CD74
Conjugate of doxorubicin with monoclonal antibody P4/D10 against GP120
DM2
DOX-SL
Doxil
Doxorubicin
Doxorubicin (USAN/INN)
Doxorubicin [USAN:INN:BAN]
Doxorubicin citrate
Doxorubicin hydrochloride (hydrochloride salt)
Doxorubicin-P4/D10
Doxorubicin-P4/D10 conjugate
Doxorubicin-hLL1
Doxorubicin-hLL1 conjugate
Doxorubicina
Doxorubicina [INN-Spanish]
Doxorubicine
Doxorubicine [INN-French]
Doxorubicinum
Doxorubicinum [INN-Latin]
EINECS 245-495-6
FI 106
Farmablastina (hydrochloride salt)
HSDB 3070
Hydroxydaunomycin hydrochlor ide (hydrochloride salt)
Hydroxydaunomycin hydrochloride (hydrochloride salt)
Hydroxydaunorubicin hydrochloride (hydrochloride salt)
JT9100000
Myocet
Myocet (TN)
NCI-C01514
NDC 38242-874
RDF Rubex
Rubex (TN)
Rubex (hydrochloride salt)
TLC D-99
ThermoDox
UNII-80168379AG
doxorubicin
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| Structure |
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| Formula |
C27H29NO11
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| Molecular Weight |
543.525
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| Canonical SMILES |
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
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| InChI |
InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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| InChIKey |
AOJJSUZBOXZQNB-TZSSRYMLSA-N
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| CAS |
29042-30-6
25311-50-6
23214-92-8
24385-08-8
23257-17-2
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01216, Apoptosis regulator Bcl-2
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT01217, Bcl-2-like protein 1
Protein ID: PT01218, DNA topoisomerase 2-alpha
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3
Clinical Information about the Compound