General Information of the Compound
| Compound ID |
CP0568696
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| Compound Name |
N-[(2R,3S)-1-[5-[(dimethylamino)methyl]-2-(trifluoromethoxy)anilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C32H41F3N6O4
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| Molecular Weight |
630.712
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| Canonical SMILES |
C[C@H]([C@@H](NC(=O)N1CCN(CC1)C(=O)C(C)(C)C)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C32H41F3N6O4/c1-20(23-18-36-24-10-8-7-9-22(23)24)27(38-30(44)41-15-13-40(14-16-41)29(43)31(2,3)4)28(42)37-25-17-21(19-39(5)6)11-12-26(25)45-32(33,34)35/h7-12,17-18,20,27,36H,13-16,19H2,1-6H3,(H,37,42)(H,38,44)/t20-,27+/m0/s1
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| InChIKey |
JVNKQILVZMDHQV-CCLHPLFOSA-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