General Information of the Compound
| Compound ID |
CP0238652
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| Compound Name |
(1R,2R)-N-pyrazolo[1,5-a]pyrimidin-3-yl-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C23H22N6O2
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| Molecular Weight |
414.469
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| Canonical SMILES |
O=C(Nc1cnn2cccnc12)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1
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| InChI |
InChI=1S/C23H22N6O2/c30-21(16-8-6-15(7-9-16)19-10-12-25-28-19)17-4-1-2-5-18(17)23(31)27-20-14-26-29-13-3-11-24-22(20)29/h3,6-14,17-18H,1-2,4-5H2,(H,25,28)(H,27,31)/t17-,18-/m1/s1
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| InChIKey |
MJJOCVSZEMTHJQ-QZTJIDSGSA-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