General Information of the Compound
| Compound ID |
CP0511838
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| Compound Name |
1-cyclopropyl-3-[(3R)-3-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]urea
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| Structure |
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| Formula |
C29H50N2O3
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| Molecular Weight |
474.73
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| Canonical SMILES |
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NC4CC4)[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/C29H50N2O3/c1-5-20-24-16-19(32)10-13-29(24,4)23-11-14-28(3)21(8-9-22(28)25(23)26(20)33)17(2)12-15-30-27(34)31-18-6-7-18/h17-26,32-33H,5-16H2,1-4H3,(H2,30,31,34)/t17-,19-,20-,21-,22+,23+,24+,25+,26-,28-,29-/m1/s1
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| InChIKey |
GGWQNHRNOOCFME-OUHYTZGYSA-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