General Information of the Compound
| Compound ID |
CP0072232
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| Compound Name |
(R)-5-methyl-3-(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)thiazol-2-yl)isoxazole
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| Structure |
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| Formula |
C23H24N4OS
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| Molecular Weight |
404.539
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1cc(C)on1
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| InChI |
InChI=1S/C23H24N4OS/c1-15-4-3-10-27(15)11-9-17-5-7-19-18(13-17)6-8-20(24-19)22-14-29-23(25-22)21-12-16(2)28-26-21/h5-8,12-15H,3-4,9-11H2,1-2H3/t15-/m1/s1
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| InChIKey |
YEXIBZKBLZVZSI-OAHLLOKOSA-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