General Information of the Compound
| Compound ID |
CP0212625
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| Compound Name |
(8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-2-methyl-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 |
C29H34O3
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| Molecular Weight |
430.588
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| Canonical SMILES |
COc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(C)c1
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| InChI |
InChI=1S/C29H34O3/c1-5-13-29(31)14-12-26-24-9-6-19-16-20(30)7-10-23(19)27(24)25(17-28(26,29)3)22-11-8-21(32-4)15-18(22)2/h8,11,15-16,24-26,31H,6-7,9-10,12,14,17H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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| InChIKey |
BEWGUGRJMZWUMI-GCNJZUOMSA-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