General Information of the Compound
| Compound ID |
CP0529526
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| Compound Name |
2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazol-3-yl)-5-(1-p-tolylcyclopropyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C30H22Cl3N7O
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| Molecular Weight |
602.913
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| Canonical SMILES |
Cc1ccc(cc1)C1(CC1)c1nnc(o1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C30H22Cl3N7O/c1-18-2-6-20(7-3-18)30(12-13-30)29-37-36-28(41-29)26-23(15-39-17-34-16-35-39)27(19-4-8-21(31)9-5-19)40(38-26)25-11-10-22(32)14-24(25)33/h2-11,14,16-17H,12-13,15H2,1H3
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| InChIKey |
LDJRQIYPZSOSRH-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