General Information of the Compound
| Compound ID |
CP0396325
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| Compound Name |
N-[(2R,3S)-1-[2-acetyl-5-[(dimethylamino)methyl]anilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(2-methylpropanoyl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C33H43N5O4
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| Molecular Weight |
573.738
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| Canonical SMILES |
CC(C)C(=O)C1CCN(CC1)C(=O)N[C@H]([C@@H](C)c1c[nH]c2ccccc12)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O
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| InChI |
InChI=1S/C33H43N5O4/c1-20(2)31(40)24-13-15-38(16-14-24)33(42)36-30(21(3)27-18-34-28-10-8-7-9-26(27)28)32(41)35-29-17-23(19-37(5)6)11-12-25(29)22(4)39/h7-12,17-18,20-21,24,30,34H,13-16,19H2,1-6H3,(H,35,41)(H,36,42)/t21-,30+/m0/s1
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| InChIKey |
UQWKQQRBMYBEPJ-URAOTHONSA-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