General Information of the Compound
| Compound ID |
CP0315656
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| Compound Name |
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C29H34N2O5S
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| Molecular Weight |
522.667
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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(O)C(=O)CSc1nnc(o1)-c1ccccc1
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| InChI |
InChI=1S/C29H34N2O5S/c1-27-12-10-19(32)14-18(27)8-9-20-21-11-13-29(35,28(21,2)15-22(33)24(20)27)23(34)16-37-26-31-30-25(36-26)17-6-4-3-5-7-17/h3-7,14,20-22,24,33,35H,8-13,15-16H2,1-2H3/t20-,21-,22-,24+,27-,28-,29-/m0/s1
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| InChIKey |
DBDYCEYZBUVHLW-WPJVYTRISA-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