General Information of the Compound
| Compound ID |
CP0483744
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C30H36N6O3
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| Molecular Weight |
528.657
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N(C)CCNC)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C30H36N6O3/c1-6-7-28(37)25-17-32-36(21(25)3)23-11-9-22(10-12-23)33-30(39)26-18-35(19-29(38)34(5)15-14-31-4)27-13-8-20(2)16-24(26)27/h8-13,16-18,31H,6-7,14-15,19H2,1-5H3,(H,33,39)
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| InChIKey |
BSXBEWQFUIMPMF-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