General Information of the Compound
| Compound ID |
CP0373197
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| Compound Name |
(8S,11R,13S,14S,16R,17S)-17-(cyclopropanecarbonyl)-11-[4-(6-methoxypyridin-3-yl)phenyl]-13,16-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C35H39NO3
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| Molecular Weight |
521.701
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| Canonical SMILES |
COc1ccc(cn1)-c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](C[C@@H](C)[C@@H]2C(=O)C2CC2)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C35H39NO3/c1-20-16-30-28-13-10-24-17-26(37)12-14-27(24)32(28)29(18-35(30,2)33(20)34(38)23-8-9-23)22-6-4-21(5-7-22)25-11-15-31(39-3)36-19-25/h4-7,11,15,17,19-20,23,28-30,33H,8-10,12-14,16,18H2,1-3H3/t20-,28+,29-,30+,33-,35+/m1/s1
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| InChIKey |
RAYOYPZHJJVWFU-VYRBCWFISA-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