General Information of the Compound
| Compound ID |
CP0422571
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| Compound Name |
(3R)-3-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-6-propyl-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 |
C26H43NO2
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| Molecular Weight |
401.635
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| Canonical SMILES |
CCC[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/C26H43NO2/c1-5-11-26(29)16-19-21-7-6-20(17(2)10-14-27)24(21,3)13-9-22(19)25(4)12-8-18(28)15-23(25)26/h17-23,28-29H,5-13,15-16H2,1-4H3/t17-,18-,19+,20-,21+,22+,23-,24-,25-,26+/m1/s1
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| InChIKey |
DZTJDDULZYIVGC-LTSQYKSLSA-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