General Information of the Compound
| Compound ID |
CP0561660
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| Compound Name |
4-[4-[(S)-[2-(4-cyanoanilino)pyrimidin-4-yl]-hydroxymethyl]-3-methoxyphenyl]benzonitrile
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| Formula |
C26H19N5O2
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| Molecular Weight |
433.471
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| Canonical SMILES |
COc1cc(ccc1[C@H](O)c1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C26H19N5O2/c1-33-24-14-20(19-6-2-17(15-27)3-7-19)8-11-22(24)25(32)23-12-13-29-26(31-23)30-21-9-4-18(16-28)5-10-21/h2-14,25,32H,1H3,(H,29,30,31)/t25-/m0/s1
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| InChIKey |
UHMLHIRSNCDVOO-VWLOTQADSA-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