General Information of the Compound
| Compound ID |
CP0006779
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| Compound Name |
1,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H29N7O
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| Molecular Weight |
467.577
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| Canonical SMILES |
CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C27H29N7O/c1-21(20-32-15-17-33(18-16-32)27-28-13-8-14-29-27)30-26(35)24-19-25(22-9-4-2-5-10-22)34(31-24)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,30,35)
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| InChIKey |
OWDPXHBMBWIJAY-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