General Information of the Compound
| Compound ID |
CP0579537
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| Compound Name |
1-benzhydryl-4-[4-(1,2,4-triazol-1-yl)butyl]piperazine
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| Structure |
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| Formula |
C23H29N5
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| Molecular Weight |
375.52
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| Canonical SMILES |
C(CCn1cncn1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C23H29N5/c1-3-9-21(10-4-1)23(22-11-5-2-6-12-22)27-17-15-26(16-18-27)13-7-8-14-28-20-24-19-25-28/h1-6,9-12,19-20,23H,7-8,13-18H2
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| InChIKey |
SMRZRKQKIZLRQY-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