General Information of the Compound
| Compound ID |
CP0171979
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| Compound Name |
4-{[(2S,4S)-1-[2-(4-{[(2-chlorophenyl)carbamoyl]amino}-3-methylphenyl)acetyl]-4-fluoropyrrolidin-2-yl]methoxy}benzoic acid
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| Structure |
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| Formula |
C28H27ClFN3O5
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| Molecular Weight |
539.991
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| Canonical SMILES |
Cc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1Cl
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| InChI |
InChI=1S/C28H27ClFN3O5/c1-17-12-18(6-11-24(17)31-28(37)32-25-5-3-2-4-23(25)29)13-26(34)33-15-20(30)14-21(33)16-38-22-9-7-19(8-10-22)27(35)36/h2-12,20-21H,13-16H2,1H3,(H,35,36)(H2,31,32,37)/t20-,21-/m0/s1
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| InChIKey |
GMINLGKKNUFSSX-SFTDATJTSA-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