General Information of the Compound
| Compound ID |
CP0550156
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| Compound Name |
N-[1-[4-[[(2R)-4-cyclohexyl-1-[(1-methylsulfonylpiperidin-3-yl)amino]-1-oxobutan-2-yl]carbamoyl]phenyl]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
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| Structure |
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| Formula |
C33H44N6O5S
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| Molecular Weight |
636.819
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| Canonical SMILES |
CC(NC(=O)c1cnc2ccccn12)c1ccc(cc1)C(=O)N[C@H](CCC1CCCCC1)C(=O)NC1CCCN(C1)S(C)(=O)=O
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| InChI |
InChI=1S/C33H44N6O5S/c1-23(35-33(42)29-21-34-30-12-6-7-20-39(29)30)25-14-16-26(17-15-25)31(40)37-28(18-13-24-9-4-3-5-10-24)32(41)36-27-11-8-19-38(22-27)45(2,43)44/h6-7,12,14-17,20-21,23-24,27-28H,3-5,8-11,13,18-19,22H2,1-2H3,(H,35,42)(H,36,41)(H,37,40)/t23?,27?,28-/m1/s1
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| InChIKey |
YBEMAJSTGUDUQZ-BHOIILBASA-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