General Information of the Compound
| Compound ID |
CP0293076
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| Compound Name |
(8S,11R,13S,14S,17S)-17-hydroxy-11-(4'-methoxy-biphenyl-4-yl)-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 |
C34H36O3
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| Molecular Weight |
492.659
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(cc1)[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/C34H36O3/c1-4-18-34(36)19-17-31-29-15-11-25-20-26(35)12-16-28(25)32(29)30(21-33(31,34)2)24-7-5-22(6-8-24)23-9-13-27(37-3)14-10-23/h5-10,13-14,20,29-31,36H,11-12,15-17,19,21H2,1-3H3/t29-,30+,31-,33-,34-/m0/s1
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| InChIKey |
AYRNVJILBDPLJZ-FMHBTXFXSA-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