General Information of the Compound
| Compound ID |
CP0504720
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| Compound Name |
1-[(3aS,6aR)-2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-cyclohexylethanone
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| Structure |
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| Formula |
C19H27N3O
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| Molecular Weight |
313.445
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| Canonical SMILES |
O=C(CC1CCCCC1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1
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| InChI |
InChI=1S/C19H27N3O/c23-19(10-15-6-2-1-3-7-15)22-13-16-11-21(12-17(16)14-22)18-8-4-5-9-20-18/h4-5,8-9,15-17H,1-3,6-7,10-14H2/t16-,17+
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| InChIKey |
YHBYNMGGBYICQG-CALCHBBNSA-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