General Information of the Compound
| Compound ID |
CP0476085
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| Compound Name |
N-[[5-methoxy-6-(2-methylpyridin-4-yl)pyridin-3-yl]methyl]-9H-carbazole-2-carboxamide
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| Structure |
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| Formula |
C26H22N4O2
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| Molecular Weight |
422.488
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| Canonical SMILES |
COc1cc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cnc1-c1ccnc(C)c1
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| InChI |
InChI=1S/C26H22N4O2/c1-16-11-18(9-10-27-16)25-24(32-2)12-17(14-28-25)15-29-26(31)19-7-8-21-20-5-3-4-6-22(20)30-23(21)13-19/h3-14,30H,15H2,1-2H3,(H,29,31)
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| InChIKey |
BLLKBDFOLOWWEK-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
Protein ID: PT02397, Protein smoothened
Protein ID: PT04787, Protein-serine O-palmitoleoyltransferase porcupine