General Information of the Compound
| Compound ID |
CP0491802
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| Compound Name |
(4R)-N-butyl-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-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]pentanamide
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| Structure |
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| Formula |
C28H49NO3
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| Molecular Weight |
447.704
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| Canonical SMILES |
CCCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C28H49NO3/c1-5-6-15-29-25(32)10-7-18(2)21-8-9-22-26-23(12-14-28(21,22)4)27(3)13-11-20(30)16-19(27)17-24(26)31/h18-24,26,30-31H,5-17H2,1-4H3,(H,29,32)/t18-,19+,20-,21-,22+,23+,24-,26+,27+,28-/m1/s1
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| InChIKey |
KWYAVQXWKIWICH-XFHNMMOESA-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