General Information of the Compound
| Compound ID |
CP0089471
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| Compound Name |
22-oxovincaleukoblastine
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| Synonyms |
22-Oxovincaleukoblastine
Indole alkaloid
LCR
Leurocristine
Lilly37231 (1:1 sulfate salt)
Liposomal Vincristine
Marqibo
Onco TCS
Oncovin (1:1 sulfate salt)
Oncovin (TN)
Oncovine
Tecnocris
Tecnocris (TN)
VCR
VIN
Vincaleukoblastine, 22-oxo-22-Oxovincaleukoblastine
Vincasar
Vincasar (1:1 sulfate salt)
Vincrex (1:1 sulfate salt)
Vincristina
Vincristina [DCIT]
Vincristine
Vincristine (INN)
Vincristine [INN:BAN]
Vincristinum
Vincristinum [INN-Latin]
Vincrstine
Vincrystine
Vinkristin
Z-D-Val-Lys(Z)-OH
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| Structure |
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| Formula |
C46H56N4O10
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| Molecular Weight |
824.972
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| Canonical SMILES |
CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
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| InChI |
InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
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| InChIKey |
OGWKCGZFUXNPDA-XQKSVPLYSA-N
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| CAS |
28379-27-3
57-22-7
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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: PT06109, Geminin
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3
Clinical Information about the Compound