General Information of the Compound
| Compound ID |
CP0531359
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| Compound Name |
4-(benzyloxy)-1-(2-(2-hydroxyethyl)-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 |
C26H27N3O3
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| Molecular Weight |
429.52
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| Canonical SMILES |
Cn1c2CCN(CCO)Cc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C26H27N3O3/c1-27-24-10-11-28(13-14-30)17-23(24)22-8-7-20(15-25(22)27)29-12-9-21(16-26(29)31)32-18-19-5-3-2-4-6-19/h2-9,12,15-16,30H,10-11,13-14,17-18H2,1H3
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| InChIKey |
YBAXZCUPOJJSKS-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