General Information of the Compound
| Compound ID |
CP0355449
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| Compound Name |
5-amino-N-[[4-[[(2S)-4-cyclohexyl-1-oxo-1-(propylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Formula |
C31H40N6O3
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| Molecular Weight |
544.7
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| Canonical SMILES |
CCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1
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| InChI |
InChI=1S/C31H40N6O3/c1-2-19-33-31(40)27(18-15-22-9-5-3-6-10-22)36-29(38)24-16-13-23(14-17-24)20-34-30(39)26-21-35-37(28(26)32)25-11-7-4-8-12-25/h4,7-8,11-14,16-17,21-22,27H,2-3,5-6,9-10,15,18-20,32H2,1H3,(H,33,40)(H,34,39)(H,36,38)/t27-/m0/s1
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| InChIKey |
NOSAVSWAPDPQJU-MHZLTWQESA-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