General Information of the Compound
| Compound ID |
CP0513518
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| Compound Name |
7-chloro-3-(3,5-dimethylphenyl)-4-(2-(piperidin-2-yl)ethoxy)-6-(pyrimidin-4-yl)quinolin-2(1H)-one
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| Structure |
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| Formula |
C28H29ClN4O2
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| Molecular Weight |
489.019
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(c(Cl)cc2[nH]c1=O)-c1ccncn1
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| InChI |
InChI=1S/C28H29ClN4O2/c1-17-11-18(2)13-19(12-17)26-27(35-10-7-20-5-3-4-8-31-20)22-14-21(24-6-9-30-16-32-24)23(29)15-25(22)33-28(26)34/h6,9,11-16,20,31H,3-5,7-8,10H2,1-2H3,(H,33,34)
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| InChIKey |
YAWOHPIYLYGVRK-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