General Information of the Compound
| Compound ID |
CP0954423
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| Compound Name |
2-(piperidin-1-ylmethyl)-N-(quinolin-7-yl)biphenyl-4-carboxamide dihydrobromide
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| Structure |
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| Formula |
C28H29Br2N3O
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| Molecular Weight |
583.368
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| Canonical SMILES |
Br.Br.O=C(Nc1ccc2cccnc2c1)c1ccc(-c2ccccc2)c(CN2CCCCC2)c1
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| InChI |
InChI=1S/C28H27N3O.2BrH/c32-28(30-25-13-11-22-10-7-15-29-27(22)19-25)23-12-14-26(21-8-3-1-4-9-21)24(18-23)20-31-16-5-2-6-17-31;;/h1,3-4,7-15,18-19H,2,5-6,16-17,20H2,(H,30,32);2*1H
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| InChIKey |
JVYCJSIDVFUVHI-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