General Information of the Compound
| Compound ID |
CP0540052
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-methylindole-3-carboxamide
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| Structure |
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| Formula |
C31H34N6O3
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| Molecular Weight |
538.652
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3C[C@@H]4C[C@H]3CN4)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C31H34N6O3/c1-4-5-29(38)26-15-33-37(20(26)3)23-9-7-21(8-10-23)34-31(40)27-17-35(28-11-6-19(2)12-25(27)28)18-30(39)36-16-22-13-24(36)14-32-22/h6-12,15,17,22,24,32H,4-5,13-14,16,18H2,1-3H3,(H,34,40)/t22-,24-/m0/s1
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| InChIKey |
WSUHRCFIXFAZFR-UPVQGACJSA-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