General Information of the Compound
| Compound ID |
CP0353193
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| Compound Name |
5-amino-N-[[4-[[(2S)-4-cyclohexyl-1-[[1-(oxetan-3-yl)piperidin-3-yl]amino]-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C36H47N7O4
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| Molecular Weight |
641.817
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| Canonical SMILES |
Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NC1CCCN(C1)C1COC1
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| InChI |
InChI=1S/C36H47N7O4/c37-33-31(21-39-43(33)29-11-5-2-6-12-29)35(45)38-20-26-13-16-27(17-14-26)34(44)41-32(18-15-25-8-3-1-4-9-25)36(46)40-28-10-7-19-42(22-28)30-23-47-24-30/h2,5-6,11-14,16-17,21,25,28,30,32H,1,3-4,7-10,15,18-20,22-24,37H2,(H,38,45)(H,40,46)(H,41,44)/t28?,32-/m0/s1
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| InChIKey |
WVXFEXDVLZHKHO-YYMSGCCCSA-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