General Information of the Compound
| Compound ID |
CP0509064
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-oxo-2-[[(3S)-pyrrolidin-3-yl]amino]ethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C30H34N6O3
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| Molecular Weight |
526.641
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N[C@H]3CCNC3)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C30H34N6O3/c1-4-5-28(37)25-16-32-36(20(25)3)23-9-7-21(8-10-23)34-30(39)26-17-35(27-11-6-19(2)14-24(26)27)18-29(38)33-22-12-13-31-15-22/h6-11,14,16-17,22,31H,4-5,12-13,15,18H2,1-3H3,(H,33,38)(H,34,39)/t22-/m0/s1
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| InChIKey |
JSKVQBWLDKBSQH-QFIPXVFZSA-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