General Information of the Compound
| Compound ID |
CP0412754
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| Compound Name |
ethyl 2-benzyl-2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pentanoate
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| Structure |
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| Formula |
C26H26ClN3O2
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| Molecular Weight |
447.966
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| Canonical SMILES |
CCCC(Cc1ccccc1)(C(=O)OCC)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H26ClN3O2/c1-3-15-26(25(31)32-4-2,17-19-8-6-5-7-9-19)23-14-16-28-24-22(18-29-30(23)24)20-10-12-21(27)13-11-20/h5-14,16,18H,3-4,15,17H2,1-2H3
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| InChIKey |
YWZUYHIAJSTNIS-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