General Information of the Compound
| Compound ID |
CP0537578
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| Compound Name |
(2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone
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| Structure |
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| Formula |
C23H26N4O2
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| Molecular Weight |
390.487
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| Canonical SMILES |
CC(O)(c1cnn(n1)C(=O)N1CCCCC1Cc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C23H26N4O2/c1-23(29,19-12-6-3-7-13-19)21-17-24-27(25-21)22(28)26-15-9-8-14-20(26)16-18-10-4-2-5-11-18/h2-7,10-13,17,20,29H,8-9,14-16H2,1H3
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| InChIKey |
ARWPUXNOXVMUTI-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