General Information of the Compound
| Compound ID |
CP0133903
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| Compound Name |
3-[5-(4-chlorophenyl)furan-2-yl]-4-(4-piperazin-1-ylphenyl)-5-(2-pyrimidin-5-ylphenyl)-5H-1,2,4-oxadiazole
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| Structure |
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| Formula |
C32H27ClN6O2
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| Molecular Weight |
563.061
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1
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| InChI |
InChI=1S/C32H27ClN6O2/c33-24-7-5-22(6-8-24)29-13-14-30(40-29)31-37-41-32(28-4-2-1-3-27(28)23-19-35-21-36-20-23)39(31)26-11-9-25(10-12-26)38-17-15-34-16-18-38/h1-14,19-21,32,34H,15-18H2
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| InChIKey |
YCRNUCBVYJRPTD-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