General Information of the Compound
| Compound ID |
CP0001676
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| Compound Name |
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)furan-2-carbonitrile
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| Structure |
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| Formula |
C12H13N3O2
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| Molecular Weight |
231.255
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| Canonical SMILES |
O=C(N1CC2CNCC2C1)c1ccc(o1)C#N
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| InChI |
InChI=1S/C12H13N3O2/c13-3-10-1-2-11(17-10)12(16)15-6-8-4-14-5-9(8)7-15/h1-2,8-9,14H,4-7H2
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| InChIKey |
HSPGCGUPFQHASA-UHFFFAOYSA-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