General Information of the Compound
| Compound ID |
CP0875102
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| Compound Name |
rac-N-(benzo[d][1,3]dioxol-5-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 |
C23H22N4O5
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| Molecular Weight |
434.452
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| Canonical SMILES |
O=C(Nc1ccc2c(c1)OCO2)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1
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| InChI |
InChI=1S/C23H22N4O5/c28-21-18-12-25(22(29)24-15-6-7-19-20(10-15)32-13-31-19)8-9-26(18)23(30)27(21)17-11-16(17)14-4-2-1-3-5-14/h1-7,10,16-18H,8-9,11-13H2,(H,24,29)/t16-,17+,18?/m1/s1
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| InChIKey |
QVWWEXYKGZCQPQ-DVKDBIPTSA-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