General Information of the Compound
| Compound ID |
CP0081175
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| Compound Name |
[(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
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| Structure |
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| Formula |
C26H21ClN4O3
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| Molecular Weight |
472.932
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| Canonical SMILES |
Cc1cnc(Cl)nc1-c1ccc2N([C@H](CCc2c1)c1cccnc1)C(=O)c1ccc(O)cc1O
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| InChI |
InChI=1S/C26H21ClN4O3/c1-15-13-29-26(27)30-24(15)17-5-9-21-16(11-17)4-8-22(18-3-2-10-28-14-18)31(21)25(34)20-7-6-19(32)12-23(20)33/h2-3,5-7,9-14,22,32-33H,4,8H2,1H3/t22-/m1/s1
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| InChIKey |
NULXZQHTQSFRHZ-JOCHJYFZSA-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