General Information of the Compound
| Compound ID |
CP0292149
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| Compound Name |
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloro-1H-benzimidazol-2-yl)methanone
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| Structure |
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| Formula |
C14H15ClN4O
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| Molecular Weight |
290.754
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| Canonical SMILES |
Clc1ccc2nc([nH]c2c1)C(=O)N1C[C@@H]2CNC[C@@H]2C1
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| InChI |
InChI=1S/C14H15ClN4O/c15-10-1-2-11-12(3-10)18-13(17-11)14(20)19-6-8-4-16-5-9(8)7-19/h1-3,8-9,16H,4-7H2,(H,17,18)/t8-,9+
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| InChIKey |
JBYPDQSOXKLICV-DTORHVGOSA-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