General Information of the Compound
| Compound ID |
CP0203894
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| Compound Name |
(8S,9R,10S,11S,13S,14S,17R)-17-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-9-fluoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C28H32FNO4S2
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| Molecular Weight |
529.699
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| Canonical SMILES |
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1
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| InChI |
InChI=1S/C28H32FNO4S2/c1-25-11-9-17(31)13-16(25)7-8-19-18-10-12-27(34,26(18,2)14-22(32)28(19,25)29)23(33)15-35-24-30-20-5-3-4-6-21(20)36-24/h3-6,13,18-19,22,32,34H,7-12,14-15H2,1-2H3/t18-,19-,22-,25-,26-,27-,28-/m0/s1
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| InChIKey |
BUVFTSTVRIDNOZ-YQSLAPMBSA-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