General Information of the Compound
| Compound ID |
CP0523774
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| Compound Name |
(2-benzyl-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
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| Structure |
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| Formula |
C28H33N3O
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| Molecular Weight |
427.592
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| Canonical SMILES |
CC1CCN(CC1)C(=O)c1ccc2n(CC=C)c3CCN(Cc4ccccc4)Cc3c2c1
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| InChI |
InChI=1S/C28H33N3O/c1-3-14-31-26-10-9-23(28(32)30-16-11-21(2)12-17-30)18-24(26)25-20-29(15-13-27(25)31)19-22-7-5-4-6-8-22/h3-10,18,21H,1,11-17,19-20H2,2H3
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| InChIKey |
KRJNMVCVRLHURT-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