General Information of the Compound
| Compound ID |
CP0922311
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| Compound Name |
rac-N-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1,3-dioxo-2-((1S,2R)-2-phenylcyclopropyl)hexahydroimidazo[1,5-a]pyrazine-7(1H)-carboxamide
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| Structure |
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| Formula |
C25H25N7O3
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| Molecular Weight |
471.521
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| Canonical SMILES |
Cn1cc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)cn1
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| InChI |
InChI=1S/C25H25N7O3/c1-29-14-17(13-27-29)22-19(8-5-9-26-22)28-24(34)30-10-11-31-21(15-30)23(33)32(25(31)35)20-12-18(20)16-6-3-2-4-7-16/h2-9,13-14,18,20-21H,10-12,15H2,1H3,(H,28,34)/t18-,20+,21?/m1/s1
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| InChIKey |
NQIWBUPDEBOLPX-LGWYJFNUSA-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