General Information of the Compound
| Compound ID |
CP0049432
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| Compound Name |
β-Lapachone (A3)
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| Synonyms |
2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
3,4-Dihydro-2,2-dimethyl-2H-naphtho(1,2-b)pyran-5,6-dione
3,4-Dihydro-2,2-dimethyl-2H-naphtho[1,2-B]pyran-5,6-dione
A-lapachone
AK-693/21096016
ARQ 501
Beta-Lapachone
LAPACHONE, BETA
SL 11001
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| Structure |
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| Formula |
C15H14O3
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| Molecular Weight |
242.274
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| Canonical SMILES |
CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
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| InChI |
InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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| InChIKey |
QZPQTZZNNJUOLS-UHFFFAOYSA-N
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| CAS |
4707-32-8
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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: PT02235, Cocaine esterase
Protein ID: PT06109, Geminin
Protein ID: PT02186, Liver carboxylesterase 1
Protein ID: PT00838, NAD(P)H dehydrogenase [quinone] 1
Protein ID: PT03283, NADPH--cytochrome P450 reductase
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Clinical Information about the Compound