General Information of the Compound
| Compound ID |
CP0529698
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| Compound Name |
4-(4-chloro-2-methoxyphenyl)-1-(9-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-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 |
COc1cc(Cl)ccc1-c1ccn(-c2ccc3c4CCNCc4n(C)c3c2)c(=O)c1
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| InChI |
InChI=1S/C24H22ClN3O2/c1-27-21-13-17(4-6-19(21)20-7-9-26-14-22(20)27)28-10-8-15(11-24(28)29)18-5-3-16(25)12-23(18)30-2/h3-6,8,10-13,26H,7,9,14H2,1-2H3
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| InChIKey |
SYZYDHWXXSUGKA-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