General Information of the Compound
| Compound ID |
CP0537517
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| Compound Name |
6-chloro-N-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methyl]-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]quinoline-5-carboxamide
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| Structure |
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| Formula |
C25H34ClN3O3
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| Molecular Weight |
460.018
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| Canonical SMILES |
C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](C2)C(C)(C)O)C1
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| InChI |
InChI=1S/C25H34ClN3O3/c1-16-5-4-11-25(32,13-16)15-27-23(30)22-18-6-9-21(28-20(18)8-7-19(22)26)29-12-10-17(14-29)24(2,3)31/h6-9,16-17,31-32H,4-5,10-15H2,1-3H3,(H,27,30)/t16-,17-,25+/m1/s1
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| InChIKey |
XWVNNGZGEXVXFB-BFIDETRKSA-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