General Information of the Compound
| Compound ID |
CP0285269
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| Compound Name |
1-(6-(3-(4-(trifluoromethyl)phenyl)propanamido)quinolin-2-yl)pyrrolidin-3-ylsulfamic acid
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| Structure |
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| Formula |
C23H23F3N4O4S
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| Molecular Weight |
508.522
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| Canonical SMILES |
OS(=O)(=O)NC1CCN(C1)c1ccc2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C23H23F3N4O4S/c24-23(25,26)17-5-1-15(2-6-17)3-10-22(31)27-18-7-8-20-16(13-18)4-9-21(28-20)30-12-11-19(14-30)29-35(32,33)34/h1-2,4-9,13,19,29H,3,10-12,14H2,(H,27,31)(H,32,33,34)
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| InChIKey |
VGOMLVGCPHXARJ-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