General Information of the Compound
| Compound ID |
CP0012279
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| Compound Name |
2-[4-[[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile
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| Structure |
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| Formula |
C22H23N7O
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| Molecular Weight |
401.474
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| Canonical SMILES |
COc1ncc(cn1)[C@@H](C)Nc1ncnc2CCN(Cc12)c1ccc(C)cc1C#N
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| InChI |
InChI=1S/C22H23N7O/c1-14-4-5-20(16(8-14)9-23)29-7-6-19-18(12-29)21(27-13-26-19)28-15(2)17-10-24-22(30-3)25-11-17/h4-5,8,10-11,13,15H,6-7,12H2,1-3H3,(H,26,27,28)/t15-/m1/s1
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| InChIKey |
OSQOURHXWJQPNS-OAHLLOKOSA-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