General Information of the Compound
| Compound ID |
CP0566930
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| Compound Name |
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[5-[[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-5-oxopentanoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
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| Structure |
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| Formula |
C50H71F3N2O7
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| Molecular Weight |
869.119
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| Canonical SMILES |
CCOC(=O)N1[C@H](CC)C[C@H](NC(=O)CCCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)C2(C)C)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C50H71F3N2O7/c1-10-31-28-35(32-27-30(50(51,52)53)15-17-36(32)55(31)43(60)61-11-2)54-40(56)13-12-14-41(57)62-39-20-21-46(7)37(45(39,5)6)19-22-48(9)38(46)18-16-33-34-29-44(3,4)23-25-49(34,42(58)59)26-24-47(33,48)8/h15-17,27,31,34-35,37-39H,10-14,18-26,28-29H2,1-9H3,(H,54,56)(H,58,59)/t31-,34+,35+,37+,38-,39+,46+,47-,48-,49+/m1/s1
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| InChIKey |
FEJKBVBBVMCTRB-MOXANIFJSA-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