General Information of the Compound
| Compound ID |
CP0525605
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| Compound Name |
N-[(8S,9S,10R,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]-2-nitrobenzenesulfonamide
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| Structure |
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| Formula |
C27H34N2O6S
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| Molecular Weight |
514.644
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| Canonical SMILES |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)NS(=O)(=O)c1ccccc1[N+]([O-])=O
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| InChI |
InChI=1S/C27H34N2O6S/c1-16(30)20-10-11-21-19-9-8-17-14-18(31)12-13-26(17,2)25(19)22(15-27(20,21)3)28-36(34,35)24-7-5-4-6-23(24)29(32)33/h4-7,14,19-22,25,28H,8-13,15H2,1-3H3/t19-,20+,21-,22-,25+,26-,27+/m0/s1
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| InChIKey |
RYKKRNAQWJHRME-MYTOUXFFSA-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