General Information of the Compound
| Compound ID |
CP0571405
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| Compound Name |
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide
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| Structure |
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| Formula |
C30H33N5O2
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| Molecular Weight |
495.627
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| Canonical SMILES |
Cc1cn(cn1)-c1cc(CN2CCC[C@H](N)C2)cc(NC(=O)c2ccc(C)c(Oc3ccccc3)c2)c1
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| InChI |
InChI=1S/C30H33N5O2/c1-21-10-11-24(15-29(21)37-28-8-4-3-5-9-28)30(36)33-26-13-23(18-34-12-6-7-25(31)19-34)14-27(16-26)35-17-22(2)32-20-35/h3-5,8-11,13-17,20,25H,6-7,12,18-19,31H2,1-2H3,(H,33,36)/t25-/m0/s1
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| InChIKey |
SUNSLACFIOGRFF-VWLOTQADSA-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