General Information of the Compound
| Compound ID |
CP0428235
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| Compound Name |
2-[(3H-Imidazol-4-ylmethyl)-amino]-5-methoxy-N-(1-naphthalen-2-ylmethyl-piperidin-4-yl)-benzamide
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| Structure |
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| Formula |
C28H31N5O2
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| Molecular Weight |
469.589
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| Canonical SMILES |
COc1ccc(NCc2cnc[nH]2)c(c1)C(=O)NC1CCN(Cc2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C28H31N5O2/c1-35-25-8-9-27(30-17-24-16-29-19-31-24)26(15-25)28(34)32-23-10-12-33(13-11-23)18-20-6-7-21-4-2-3-5-22(21)14-20/h2-9,14-16,19,23,30H,10-13,17-18H2,1H3,(H,29,31)(H,32,34)
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| InChIKey |
WJTFHIFZYXHLNQ-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