General Information of the Compound
| Compound ID |
CP0557131
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| Compound Name |
4-[2-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-5-(4-methylphenyl)pyrimidin-4-yl]benzonitrile
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| Formula |
C25H25N5
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| Molecular Weight |
395.51
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| Canonical SMILES |
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2NCC[C@@H]2C1
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| InChI |
InChI=1S/C25H25N5/c1-17-2-6-19(7-3-17)22-15-28-25(30-13-11-23-21(16-30)10-12-27-23)29-24(22)20-8-4-18(14-26)5-9-20/h2-9,15,21,23,27H,10-13,16H2,1H3/t21-,23+/m1/s1
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| InChIKey |
ANPYWBRCPZBYMQ-GGAORHGYSA-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