General Information of the Compound
| Compound ID |
CP0871291
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| Compound Name |
(R)-{3-[({2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3,4-dihydro-2H-pyrazole-3-carbonyl}amino)methyl]phenoxy}acetic acid HCl
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| Structure |
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| Formula |
C23H24ClF3N4O5
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| Molecular Weight |
528.915
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| Canonical SMILES |
Cl.N[C@@H](CC(=O)N1N=CCC1C(=O)NCc1cccc(OCC(=O)O)c1)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C23H23F3N4O5.ClH/c24-17-10-19(26)18(25)8-14(17)7-15(27)9-21(31)30-20(4-5-29-30)23(34)28-11-13-2-1-3-16(6-13)35-12-22(32)33;/h1-3,5-6,8,10,15,20H,4,7,9,11-12,27H2,(H,28,34)(H,32,33);1H/t15-,20?;/m1./s1
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| InChIKey |
RVIOARWLUCOODK-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