General Information of the Compound
| Compound ID |
CP0340588
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| Compound Name |
(8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-3,5-dimethyl-phenyl)-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C30H36O3
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| Molecular Weight |
444.615
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| Canonical SMILES |
COc1c(C)cc(cc1C)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C30H36O3/c1-6-12-30(32)13-11-26-24-9-7-20-16-22(31)8-10-23(20)27(24)25(17-29(26,30)4)21-14-18(2)28(33-5)19(3)15-21/h14-16,24-26,32H,7-11,13,17H2,1-5H3/t24-,25+,26-,29-,30-/m0/s1
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| InChIKey |
KDIWUNMFIJRNSJ-GJDJGZIVSA-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