General Information of the Compound
| Compound ID |
CP0388998
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| Compound Name |
[(3aR,6aS)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-chloro-1H-benzimidazol-2-yl)methanone
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| Structure |
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| Formula |
C17H21ClN4O
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| Molecular Weight |
332.835
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| Canonical SMILES |
CC(C)N1C[C@H]2CN(C[C@H]2C1)C(=O)c1nc2ccc(Cl)cc2[nH]1
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| InChI |
InChI=1S/C17H21ClN4O/c1-10(2)21-6-11-8-22(9-12(11)7-21)17(23)16-19-14-4-3-13(18)5-15(14)20-16/h3-5,10-12H,6-9H2,1-2H3,(H,19,20)/t11-,12+
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| InChIKey |
KHVBCLVNMVBPSB-TXEJJXNPSA-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