General Information of the Compound
| Compound ID |
CP0570443
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| Compound Name |
1-(4-benzylpiperazin-1-yl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
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| Structure |
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| Formula |
C27H28N6OS
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| Molecular Weight |
484.629
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| Canonical SMILES |
Cc1ccccc1-n1c(SCC(=O)N2CCN(Cc3ccccc3)CC2)nnc1-c1cccnc1
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| InChI |
InChI=1S/C27H28N6OS/c1-21-8-5-6-12-24(21)33-26(23-11-7-13-28-18-23)29-30-27(33)35-20-25(34)32-16-14-31(15-17-32)19-22-9-3-2-4-10-22/h2-13,18H,14-17,19-20H2,1H3
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| InChIKey |
QBFYFTQTUZXTPF-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