General Information of the Compound
| Compound ID |
CP0466668
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| Compound Name |
4-[(3aS,6aR)-5-(adamantane-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C23H28N4O
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| Molecular Weight |
376.504
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| Canonical SMILES |
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccncc1C#N)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C23H28N4O/c24-9-18-10-25-2-1-21(18)26-11-19-13-27(14-20(19)12-26)22(28)23-6-15-3-16(7-23)5-17(4-15)8-23/h1-2,10,15-17,19-20H,3-8,11-14H2/t15?,16?,17?,19-,20+,23?
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| InChIKey |
DFAZAWOIHSCDTM-INJWLFRUSA-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