General Information of the Compound
| Compound ID |
CP0561888
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| Compound Name |
6-chloro-N-[(4,4-difluorocyclohexyl)methyl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]quinoline-5-carboxamide
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| Structure |
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| Formula |
C23H29ClF2N4O
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| Molecular Weight |
450.961
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| Canonical SMILES |
CN(C)[C@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1
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| InChI |
InChI=1S/C23H29ClF2N4O/c1-29(2)16-9-12-30(14-16)20-6-3-17-19(28-20)5-4-18(24)21(17)22(31)27-13-15-7-10-23(25,26)11-8-15/h3-6,15-16H,7-14H2,1-2H3,(H,27,31)/t16-/m0/s1
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| InChIKey |
PUYAVUFSDFVGJW-INIZCTEOSA-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