General Information of the Compound
| Compound ID |
CP0145246
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| Compound Name |
2,2-difluoroethyl (3R)-4-[5-[(3-cyanopyridin-4-yl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
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| Structure |
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| Formula |
C19H20F2N6O3
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| Molecular Weight |
418.404
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)C(=O)OCC(F)F
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| InChI |
InChI=1S/C19H20F2N6O3/c1-13-10-26(19(28)30-12-17(20)21)4-5-27(13)18-24-8-16(9-25-18)29-11-14-2-3-23-7-15(14)6-22/h2-3,7-9,13,17H,4-5,10-12H2,1H3/t13-/m1/s1
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| InChIKey |
REVHGAGSNKNWNB-CYBMUJFWSA-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