General Information of the Compound
| Compound ID |
CP0376010
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| Compound Name |
[(3aS,6aR)-2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(azocan-1-yl)methanone
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| Structure |
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| Formula |
C19H28N4O
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| Molecular Weight |
328.46
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| Canonical SMILES |
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)N1CCCCCCC1
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| InChI |
InChI=1S/C19H28N4O/c24-19(21-10-6-2-1-3-7-11-21)23-14-16-12-22(13-17(16)15-23)18-8-4-5-9-20-18/h4-5,8-9,16-17H,1-3,6-7,10-15H2/t16-,17+
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| InChIKey |
FNUBUNOJCCHXHW-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