General Information of the Compound
| Compound ID |
CP0422576
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| Compound Name |
(3R)-3-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-6-ethyl-3,6-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butanenitrile
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| Structure |
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| Formula |
C25H41NO2
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| Molecular Weight |
387.608
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| Canonical SMILES |
CC[C@]1(O)C[C@H]2[C@@H]3CC[C@H]([C@H](C)CC#N)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
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| InChI |
InChI=1S/C25H41NO2/c1-5-25(28)15-18-20-7-6-19(16(2)10-13-26)23(20,3)12-9-21(18)24(4)11-8-17(27)14-22(24)25/h16-22,27-28H,5-12,14-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22-,23-,24-,25+/m1/s1
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| InChIKey |
SHKPRJPQIFWRBP-RGOVMONESA-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