General Information of the Compound
| Compound ID |
CP0558537
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| Compound Name |
4-[3-chloro-4-[(R)-[2-(4-cyanoanilino)pyrimidin-4-yl]-hydroxymethyl]phenyl]benzonitrile
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| Formula |
C25H16ClN5O
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| Molecular Weight |
437.89
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| Canonical SMILES |
O[C@@H](c1ccnc(Nc2ccc(cc2)C#N)n1)c1ccc(cc1Cl)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C25H16ClN5O/c26-22-13-19(18-5-1-16(14-27)2-6-18)7-10-21(22)24(32)23-11-12-29-25(31-23)30-20-8-3-17(15-28)4-9-20/h1-13,24,32H,(H,29,30,31)/t24-/m1/s1
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| InChIKey |
LRGUYOVPBIAHKP-XMMPIXPASA-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