General Information of the Compound
| Compound ID |
CP0011038
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| Compound Name |
5-methyl-1,3-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C28H31N7O
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| Molecular Weight |
481.604
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| Canonical SMILES |
CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1c(C)n(nc1-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C28H31N7O/c1-21(20-33-16-18-34(19-17-33)28-29-14-9-15-30-28)31-27(36)25-22(2)35(24-12-7-4-8-13-24)32-26(25)23-10-5-3-6-11-23/h3-15,21H,16-20H2,1-2H3,(H,31,36)
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| InChIKey |
UZIXLCRFLODBNN-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