General Information of the Compound
| Compound ID |
CP0529919
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| Compound Name |
6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(4-fluorobenzyl)nicotinamide
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| Structure |
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| Formula |
C30H33FN6O
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| Molecular Weight |
512.633
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| Canonical SMILES |
Fc1ccc(CNC(=O)c2ccc(nc2)N2CCN(CC2)C2CCN(Cc3ccc(cc3)C#N)CC2)cc1
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| InChI |
InChI=1S/C30H33FN6O/c31-27-8-5-24(6-9-27)20-34-30(38)26-7-10-29(33-21-26)37-17-15-36(16-18-37)28-11-13-35(14-12-28)22-25-3-1-23(19-32)2-4-25/h1-10,21,28H,11-18,20,22H2,(H,34,38)
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| InChIKey |
HUFURECDUXVMKN-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