General Information of the Compound
| Compound ID |
CP0376012
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| Compound Name |
[(3aR,6aS)-2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cuban-1-ylmethanone
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| Structure |
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| Formula |
C20H21N3O
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| Molecular Weight |
319.408
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| Canonical SMILES |
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)C12C3C4C5C3C1C5C24
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| InChI |
InChI=1S/C20H21N3O/c24-19(20-16-13-12-14(16)18(20)15(12)17(13)20)23-7-9-5-22(6-10(9)8-23)11-3-1-2-4-21-11/h1-4,9-10,12-18H,5-8H2/t9-,10+,12?,13?,14?,15?,16?,17?,18?,20?
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| InChIKey |
IJOQJBXKSJXBOB-AYUCBYPJSA-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