General Information of the Compound
| Compound ID |
CP0283480
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| Compound Name |
(6S,8S,9S,10R,11S,13S,14S,17R)-17-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C29H33NO4S2
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| Molecular Weight |
523.72
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| Canonical SMILES |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CSc4nc5ccccc5s4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
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| InChI |
InChI=1S/C29H33NO4S2/c1-16-12-18-19-9-11-29(34,24(33)15-35-26-30-21-6-4-5-7-23(21)36-26)28(19,3)14-22(32)25(18)27(2)10-8-17(31)13-20(16)27/h4-8,10,13,16,18-19,22,25,32,34H,9,11-12,14-15H2,1-3H3/t16-,18-,19-,22-,25+,27-,28-,29-/m0/s1
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| InChIKey |
PILPRGVTTUPTOM-LQQABZQISA-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