General Information of the Compound
| Compound ID |
CP0388451
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| Compound Name |
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-[2-([1,3]thiazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
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| Structure |
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| Formula |
C32H34N2O6S2
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| Molecular Weight |
606.766
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| Canonical SMILES |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ncccc2s1
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| InChI |
InChI=1S/C32H34N2O6S2/c1-30-11-9-19(35)15-18(30)7-8-20-21-10-12-32(31(21,2)16-22(36)26(20)30,40-28(38)23-5-4-14-39-23)25(37)17-41-29-34-27-24(42-29)6-3-13-33-27/h3-6,13-15,20-22,26,36H,7-12,16-17H2,1-2H3/t20-,21-,22-,26+,30-,31-,32-/m0/s1
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| InChIKey |
FFKBWORAWZUSLC-GQBGJLBCSA-N
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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