General Information of the Compound
| Compound ID |
CP0574640
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| Compound Name |
(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanenitrile
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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 |
CO[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC#N)[C@@]3(C)CC[C@H]21
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| InChI |
InChI=1S/C25H41NO2/c1-16(6-5-13-26)19-7-8-20-23-21(10-12-25(19,20)3)24(2)11-9-18(28-4)14-17(24)15-22(23)27/h16-23,27H,5-12,14-15H2,1-4H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25-/m1/s1
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| InChIKey |
WYUMKMSGFIWCAM-SHUSUIPQSA-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