General Information of the Compound
| Compound ID |
CP0385074
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| Compound Name |
N-(2-aminophenyl)-11-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]undecanamide
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| Structure |
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| Formula |
C35H50N2O3
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| Molecular Weight |
546.796
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCCC(=O)Nc1ccccc1N)Cc1cc(O)ccc31
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| InChI |
InChI=1S/C35H50N2O3/c1-35-21-20-28-27-17-16-26(38)23-25(27)22-24(34(28)29(35)18-19-32(35)39)12-8-6-4-2-3-5-7-9-15-33(40)37-31-14-11-10-13-30(31)36/h10-11,13-14,16-17,23-24,28-29,32,34,38-39H,2-9,12,15,18-22,36H2,1H3,(H,37,40)/t24-,28-,29+,32+,34-,35+/m1/s1
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| InChIKey |
ZBFIGLQDWMMMBL-LVQRKLQESA-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