General Information of the Compound
| Compound ID |
CP0921929
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| Compound Name |
(R)-4-({2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3,4-dihydro-2H-pyrazole-3-carbonyl}amino)benzoic acid HCl
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| Structure |
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| Formula |
C21H20ClF3N4O4
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| Molecular Weight |
484.862
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| Canonical SMILES |
Cl.N[C@@H](CC(=O)N1N=CCC1C(=O)Nc1ccc(C(=O)O)cc1)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C21H19F3N4O4.ClH/c22-15-10-17(24)16(23)8-12(15)7-13(25)9-19(29)28-18(5-6-26-28)20(30)27-14-3-1-11(2-4-14)21(31)32;/h1-4,6,8,10,13,18H,5,7,9,25H2,(H,27,30)(H,31,32);1H/t13-,18?;/m1./s1
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| InChIKey |
BQJBJIBWVJFAAI-VCJQCBJBSA-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