General Information of the Compound
| Compound ID |
CP0112567
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| Compound Name |
(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-phenoxy-phenyl)-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 |
C33H34O3
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| Molecular Weight |
478.632
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C33H34O3/c1-3-18-33(35)19-17-30-28-15-11-23-20-24(34)12-16-27(23)31(28)29(21-32(30,33)2)22-9-13-26(14-10-22)36-25-7-5-4-6-8-25/h4-10,13-14,20,28-30,35H,11-12,15-17,19,21H2,1-2H3/t28-,29+,30-,32-,33-/m0/s1
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| InChIKey |
ILYNYASOCAZUNY-LNAXGRFASA-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