General Information of the Compound
| Compound ID |
CP0436663
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| Compound Name |
(8S,11R,13S,14S,16R,17S)-17-(cyclopropanecarbonyl)-16-ethyl-11-[4-(6-methoxypyridin-3-yl)phenyl]-13-methyl-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 |
C36H41NO3
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| Molecular Weight |
535.728
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| Canonical SMILES |
CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1ccc(OC)nc1
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| InChI |
InChI=1S/C36H41NO3/c1-4-21-18-31-29-14-11-25-17-27(38)13-15-28(25)33(29)30(19-36(31,2)34(21)35(39)24-9-10-24)23-7-5-22(6-8-23)26-12-16-32(40-3)37-20-26/h5-8,12,16-17,20-21,24,29-31,34H,4,9-11,13-15,18-19H2,1-3H3/t21-,29+,30-,31+,34-,36+/m1/s1
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| InChIKey |
OYBOQKAFOBLNKB-NRBIJVTISA-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