General Information of the Compound
| Compound ID |
CP0459642
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| Compound Name |
2-(2-hydroxyphenyl)-3-(methanesulfonamido)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
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| Structure |
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| Formula |
C26H25N3O4S
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| Molecular Weight |
475.57
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(nc2ccccc12)-c1ccccc1O)c1ccccc1
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| InChI |
InChI=1S/C26H25N3O4S/c1-3-20(17-11-5-4-6-12-17)28-26(31)23-18-13-7-9-15-21(18)27-24(25(23)29-34(2,32)33)19-14-8-10-16-22(19)30/h4-16,20,29-30H,3H2,1-2H3,(H,28,31)/t20-/m0/s1
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| InChIKey |
NLPMIIQJZSJSFM-FQEVSTJZSA-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