General Information of the Compound
| Compound ID |
CP0876903
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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]phenoxy}-(R)-isopropyl acetic acidethyl ester HCl
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| Structure |
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| Formula |
C27H32ClF3N4O5
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| Molecular Weight |
585.023
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| Canonical SMILES |
CCOC(=O)[C@H](Oc1ccc(NC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(C)C.Cl
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| InChI |
InChI=1S/C27H31F3N4O5.ClH/c1-4-38-27(37)25(15(2)3)39-19-7-5-18(6-8-19)33-26(36)23-9-10-32-34(23)24(35)13-17(31)11-16-12-21(29)22(30)14-20(16)28;/h5-8,10,12,14-15,17,23,25H,4,9,11,13,31H2,1-3H3,(H,33,36);1H/t17-,23?,25-;/m1./s1
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| InChIKey |
JNAKLHJZQQYPKP-AIJHWIFPSA-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