General Information of the Compound
| Compound ID |
CP0557985
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| Compound Name |
6-chloro-N-[(4,4-difluorocyclohexyl)methyl]-2-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]quinoline-5-carboxamide
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| Structure |
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| Formula |
C23H29ClF2N4O2
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| Molecular Weight |
466.96
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| Canonical SMILES |
OCCNC1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1
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| InChI |
InChI=1S/C23H29ClF2N4O2/c24-18-2-3-19-17(1-4-20(29-19)30-11-7-16(14-30)27-10-12-31)21(18)22(32)28-13-15-5-8-23(25,26)9-6-15/h1-4,15-16,27,31H,5-14H2,(H,28,32)
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| InChIKey |
NOBBKTYSVABXBL-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