General Information of the Compound
| Compound ID |
CP0512695
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| Compound Name |
1-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
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| Structure |
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| Formula |
C25H33N7
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| Molecular Weight |
431.588
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| Canonical SMILES |
CN1CCN(Cc2nnc(C3CCN(CC3)c3ccccn3)n2Cc2ccccc2)CC1
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| InChI |
InChI=1S/C25H33N7/c1-29-15-17-30(18-16-29)20-24-27-28-25(32(24)19-21-7-3-2-4-8-21)22-10-13-31(14-11-22)23-9-5-6-12-26-23/h2-9,12,22H,10-11,13-20H2,1H3
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| InChIKey |
OFXZNPMLTFLPDY-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