General Information of the Compound
| Compound ID |
CP0834964
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| Compound Name |
N-((1-(4-(((S)-4-Cyclohexyl-1-(((R)-1-(methylsulfonyl)-piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)phenyl)ethyl)-3-phenyl-1N-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C35H46N6O5S
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| Molecular Weight |
662.857
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| Canonical SMILES |
CC(NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1
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| InChI |
InChI=1S/C35H46N6O5S/c1-24(36-35(44)32-22-31(39-40-32)27-12-7-4-8-13-27)26-16-18-28(19-17-26)33(42)38-30(20-15-25-10-5-3-6-11-25)34(43)37-29-14-9-21-41(23-29)47(2,45)46/h4,7-8,12-13,16-19,22,24-25,29-30H,3,5-6,9-11,14-15,20-21,23H2,1-2H3,(H,36,44)(H,37,43)(H,38,42)(H,39,40)/t24?,29-,30+/m1/s1
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| InChIKey |
GQTSZCILMYLHHC-TXJOQVMLSA-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
Protein ID: PT01678, Discoidin domain-containing receptor 2
Protein ID: PT02113, Epithelial discoidin domain-containing receptor 1
Protein ID: PT00861, Mitogen-activated protein kinase 14