General Information of the Compound
| Compound ID |
CP0412210
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| Compound Name |
N-[(2R,3S)-1-[5-[(dimethylamino)methyl]-2-ethoxyanilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(pyridine-2-carbonyl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C35H42N6O4
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| Molecular Weight |
610.759
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| Canonical SMILES |
CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)c1ccccn1)[C@@H](C)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C35H42N6O4/c1-5-45-31-14-13-24(22-40(3)4)20-30(31)38-34(43)32(23(2)27-21-37-28-11-7-6-10-26(27)28)39-35(44)41-18-15-25(16-19-41)33(42)29-12-8-9-17-36-29/h6-14,17,20-21,23,25,32,37H,5,15-16,18-19,22H2,1-4H3,(H,38,43)(H,39,44)/t23-,32+/m0/s1
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| InChIKey |
VTGFMTDKFNHVKI-JPQMRUPTSA-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