General Information of the Compound
| Compound ID |
CP0571126
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| Compound Name |
(E)-1-[4-(4-benzylphenyl)-9H-pyrido[2,3-b]indol-6-yl]-3-(dimethylamino)prop-2-en-1-one
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| Structure |
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| Formula |
C29H25N3O
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| Molecular Weight |
431.539
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| Canonical SMILES |
CN(C)\C=C\C(=O)c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4)c3c2c1
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| InChI |
InChI=1S/C29H25N3O/c1-32(2)17-15-27(33)23-12-13-26-25(19-23)28-24(14-16-30-29(28)31-26)22-10-8-21(9-11-22)18-20-6-4-3-5-7-20/h3-17,19H,18H2,1-2H3,(H,30,31)/b17-15+
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| InChIKey |
JTJIRTDCACALFL-BMRADRMJSA-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