General Information of the Compound
| Compound ID |
CP0375259
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide
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| Structure |
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| Formula |
C33H40N6O3
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| Molecular Weight |
568.722
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCCC(C3)N(C)C)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C33H40N6O3/c1-6-8-31(40)28-18-34-39(23(28)3)25-13-11-24(12-14-25)35-33(42)29-20-38(30-15-10-22(2)17-27(29)30)21-32(41)37-16-7-9-26(19-37)36(4)5/h10-15,17-18,20,26H,6-9,16,19,21H2,1-5H3,(H,35,42)
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| InChIKey |
MQQQMEUUNLSUHC-UHFFFAOYSA-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