General Information of the Compound
| Compound ID |
CP0391320
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| Compound Name |
(2S)-2-[[4-[[4-chloro-2-(fluoromethyl)quinolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C26H23ClFN3O5
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| Molecular Weight |
511.937
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(CF)cc(Cl)c2c1)C(O)=O
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| InChI |
InChI=1S/C26H23ClFN3O5/c1-2-11-31(15-16-3-8-22-20(12-16)21(27)13-18(14-28)29-22)19-6-4-17(5-7-19)25(34)30-23(26(35)36)9-10-24(32)33/h1,3-8,12-13,23H,9-11,14-15H2,(H,30,34)(H,32,33)(H,35,36)/t23-/m0/s1
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| InChIKey |
NAKFYEALFDBYDF-QHCPKHFHSA-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