General Information of the Compound
| Compound ID |
CP0904953
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| Compound Name |
N-[3-(Dimethylamino)phenyl]-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamidehydrochloride
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| Structure |
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| Formula |
C27H32ClN3O
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| Molecular Weight |
450.026
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| Canonical SMILES |
CN(C)c1cccc(NC(=O)c2ccc(-c3ccccc3)c(CN3CCCCC3)c2)c1.Cl
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| InChI |
InChI=1S/C27H31N3O.ClH/c1-29(2)25-13-9-12-24(19-25)28-27(31)22-14-15-26(21-10-5-3-6-11-21)23(18-22)20-30-16-7-4-8-17-30;/h3,5-6,9-15,18-19H,4,7-8,16-17,20H2,1-2H3,(H,28,31);1H
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| InChIKey |
IXTNTFGWZKASGR-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