General Information of the Compound
| Compound ID |
CP0402950
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| Compound Name |
3-[[[2-(3-chlorophenyl)acetyl]-[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C24H21ClFNO3
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| Molecular Weight |
425.887
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| Canonical SMILES |
C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H21ClFNO3/c1-16(19-8-10-22(26)11-9-19)27(15-18-5-2-6-20(12-18)24(29)30)23(28)14-17-4-3-7-21(25)13-17/h2-13,16H,14-15H2,1H3,(H,29,30)/t16-/m1/s1
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| InChIKey |
CQNVMTPBMZUDDB-MRXNPFEDSA-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