General Information of the Compound
| Compound ID |
CP0528706
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| Compound Name |
4-(5-chloropyridin-2-yl)-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 |
C22H19ClN4O
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| Molecular Weight |
390.874
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| Canonical SMILES |
Cn1c2CNCCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C22H19ClN4O/c1-26-20-11-16(3-4-17(20)18-6-8-24-13-21(18)26)27-9-7-14(10-22(27)28)19-5-2-15(23)12-25-19/h2-5,7,9-12,24H,6,8,13H2,1H3
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| InChIKey |
OWNIXUOKCZCOOZ-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