General Information of the Compound
| Compound ID |
CP0521982
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| Compound Name |
4-(4-chlorobenzyloxy)-1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C24H22ClN3O2
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| Molecular Weight |
419.912
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| Canonical SMILES |
Cn1c2CCNCc2c2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
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| InChI |
InChI=1S/C24H22ClN3O2/c1-27-22-8-10-26-14-21(22)20-7-6-18(12-23(20)27)28-11-9-19(13-24(28)29)30-15-16-2-4-17(25)5-3-16/h2-7,9,11-13,26H,8,10,14-15H2,1H3
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| InChIKey |
JBTCNCBNJVACSL-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