General Information of the Compound
| Compound ID |
CP0431767
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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]-cyclooctylmethanone
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| Structure |
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| Formula |
C20H29N3O
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| Molecular Weight |
327.472
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| Canonical SMILES |
O=C(C1CCCCCCC1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1
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| InChI |
InChI=1S/C20H29N3O/c24-20(16-8-4-2-1-3-5-9-16)23-14-17-12-22(13-18(17)15-23)19-10-6-7-11-21-19/h6-7,10-11,16-18H,1-5,8-9,12-15H2/t17-,18+
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| InChIKey |
LNBJFMHIRYSVAP-HDICACEKSA-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