General Information of the Compound
| Compound ID |
CP0367048
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| Compound Name |
2-(4-cyano-3-ethylanilino)-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-methylpyrimidine-5-carboxamide
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| Formula |
C23H24N6O2
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| Molecular Weight |
416.485
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| Canonical SMILES |
CCc1cc(Nc2ncc(C(=O)NC)c(N[C@H](CO)c3ccccc3)n2)ccc1C#N
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| InChI |
InChI=1S/C23H24N6O2/c1-3-15-11-18(10-9-17(15)12-24)27-23-26-13-19(22(31)25-2)21(29-23)28-20(14-30)16-7-5-4-6-8-16/h4-11,13,20,30H,3,14H2,1-2H3,(H,25,31)(H2,26,27,28,29)/t20-/m1/s1
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| InChIKey |
YBPNMUVFLXIRNQ-HXUWFJFHSA-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