General Information of the Compound
| Compound ID |
CP0415847
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| Compound Name |
N-[(2S)-2-[(3S,5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-3-(2-morpholin-4-yl-2-oxoethoxy)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]propyl]-3,5-bis(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C37H50F6N2O6
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| Molecular Weight |
732.803
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| Canonical SMILES |
C[C@H](CNC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCC(=O)N1CCOCC1
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| InChI |
InChI=1S/C37H50F6N2O6/c1-21(19-44-32(48)22-14-23(36(38,39)40)16-24(15-22)37(41,42)43)27-4-5-28-26-17-30(46)35(49)18-25(51-20-31(47)45-10-12-50-13-11-45)6-9-34(35,3)29(26)7-8-33(27,28)2/h14-16,21,25-30,46,49H,4-13,17-20H2,1-3H3,(H,44,48)/t21-,25+,26+,27-,28+,29+,30-,33-,34-,35+/m1/s1
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| InChIKey |
JUHZVDKMZKMTPG-USGZZSKXSA-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