General Information of the Compound
| Compound ID |
CP0428236
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| Compound Name |
2-[(3H-Imidazol-4-ylmethyl)-amino]-5-methoxy-N-(1-quinolin-6-ylmethyl-piperidin-4-yl)-benzamide
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| Structure |
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| Formula |
C27H30N6O2
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| Molecular Weight |
470.577
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| Canonical SMILES |
COc1ccc(NCc2cnc[nH]2)c(c1)C(=O)NC1CCN(Cc2ccc3ncccc3c2)CC1
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| InChI |
InChI=1S/C27H30N6O2/c1-35-23-5-7-26(30-16-22-15-28-18-31-22)24(14-23)27(34)32-21-8-11-33(12-9-21)17-19-4-6-25-20(13-19)3-2-10-29-25/h2-7,10,13-15,18,21,30H,8-9,11-12,16-17H2,1H3,(H,28,31)(H,32,34)
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| InChIKey |
DKZLAZLZOMKUAS-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