General Information of the Compound
| Compound ID |
CP0918937
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| Compound Name |
(R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3,4-dihydro-2H-pyrazole-3-carboxylic acid 4-methoxycarbonylmethyl phenyl ester HCl
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| Structure |
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| Formula |
C23H23ClF3N3O5
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| Molecular Weight |
513.9
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| Canonical SMILES |
COC(=O)Cc1ccc(OC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1.Cl
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| InChI |
InChI=1S/C23H22F3N3O5.ClH/c1-33-22(31)8-13-2-4-16(5-3-13)34-23(32)20-6-7-28-29(20)21(30)11-15(27)9-14-10-18(25)19(26)12-17(14)24;/h2-5,7,10,12,15,20H,6,8-9,11,27H2,1H3;1H/t15-,20?;/m1./s1
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| InChIKey |
XXOMJJBBBZUORY-SMRSSTSJSA-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