General Information of the Compound
| Compound ID |
CP0576122
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| Compound Name |
1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone
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| Structure |
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| Formula |
C26H30ClF3N6O3
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| Molecular Weight |
567.012
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1cnnn1C
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| InChI |
InChI=1S/C26H30ClF3N6O3/c1-15(37)36-12-18(13-36)25(38,22-11-31-33-34(22)2)17-4-5-21-19(10-17)23(27)20(24(32-21)39-3)14-35-8-6-16(7-9-35)26(28,29)30/h4-5,10-11,16,18,38H,6-9,12-14H2,1-3H3
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| InChIKey |
XAUSMEPFLGQVGI-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