General Information of the Compound
| Compound ID |
CP0568698
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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-(furan-2-carbonyl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C34H41N5O5
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| Molecular Weight |
599.732
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| Canonical SMILES |
CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)c1ccco1)[C@@H](C)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C34H41N5O5/c1-5-43-29-13-12-23(21-38(3)4)19-28(29)36-33(41)31(22(2)26-20-35-27-10-7-6-9-25(26)27)37-34(42)39-16-14-24(15-17-39)32(40)30-11-8-18-44-30/h6-13,18-20,22,24,31,35H,5,14-17,21H2,1-4H3,(H,36,41)(H,37,42)/t22-,31+/m0/s1
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| InChIKey |
VXSVFWWBOMJGCW-WKRVVKTRSA-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