General Information of the Compound
| Compound ID |
CP0834963
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| Compound Name |
(S)-N-(4-((4-Cyclohexyl-l-oxo-1-(propylomino)buton-2-yl)carbamoyl)benzyl)-3-phenyl-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C31H39N5O3
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| Molecular Weight |
529.685
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| Canonical SMILES |
CCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1
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| InChI |
InChI=1S/C31H39N5O3/c1-2-19-32-30(38)26(18-15-22-9-5-3-6-10-22)34-29(37)25-16-13-23(14-17-25)21-33-31(39)28-20-27(35-36-28)24-11-7-4-8-12-24/h4,7-8,11-14,16-17,20,22,26H,2-3,5-6,9-10,15,18-19,21H2,1H3,(H,32,38)(H,33,39)(H,34,37)(H,35,36)/t26-/m0/s1
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| InChIKey |
OHLXFWYKIVZLDA-SANMLTNESA-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