General Information of the Compound
| Compound ID |
CP0930890
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| Compound Name |
rac-N-(2-(3-methoxyphenyl)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 |
C28H27N5O4
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| Molecular Weight |
497.555
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| Canonical SMILES |
COc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1
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| InChI |
InChI=1S/C28H27N5O4/c1-37-20-10-5-9-19(15-20)25-22(11-6-12-29-25)30-27(35)31-13-14-32-24(17-31)26(34)33(28(32)36)23-16-21(23)18-7-3-2-4-8-18/h2-12,15,21,23-24H,13-14,16-17H2,1H3,(H,30,35)/t21-,23+,24?/m1/s1
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| InChIKey |
YAZQRROKGKZZDY-RZVHPXSESA-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