General Information of the Compound
| Compound ID |
CP0361693
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| Compound Name |
4-[5-(4-methylphenyl)-2-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-4-yl]benzonitrile
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| Structure |
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| Formula |
C23H22N4
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| Molecular Weight |
354.457
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| Canonical SMILES |
Cc1ccc(cc1)-c1cnc(C[C@H]2CCNC2)nc1-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C23H22N4/c1-16-2-6-19(7-3-16)21-15-26-22(12-18-10-11-25-14-18)27-23(21)20-8-4-17(13-24)5-9-20/h2-9,15,18,25H,10-12,14H2,1H3/t18-/m1/s1
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| InChIKey |
NYZDKAOVNFYTJM-GOSISDBHSA-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