General Information of the Compound
| Compound ID |
CP0029700
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| Compound Name |
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid;hydrochloride
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| Formula |
C27H32ClFN4O5
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| Molecular Weight |
547.027
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| Canonical SMILES |
Cl.CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CN(CCO)C3CCCCC3)C(O)=O)c(=O)[nH]c12
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| InChI |
InChI=1S/C27H31FN4O5.ClH/c1-29-23-14-19(28)12-17-13-21(26(35)31-24(17)23)25(34)30-22-8-7-16(27(36)37)11-18(22)15-32(9-10-33)20-5-3-2-4-6-20;/h7-8,11-14,20,29,33H,2-6,9-10,15H2,1H3,(H,30,34)(H,31,35)(H,36,37);1H
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| InChIKey |
NMFDMALDUNWPKI-UHFFFAOYSA-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