General Information of the Compound
| Compound ID |
CP0475696
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| Compound Name |
2-cyanopropan-2-yl (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 |
C21H23N7O3
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| Molecular Weight |
421.461
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)C(=O)OC(C)(C)C#N
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| InChI |
InChI=1S/C21H23N7O3/c1-15-12-27(20(29)31-21(2,3)14-23)6-7-28(15)19-25-10-18(11-26-19)30-13-16-4-5-24-9-17(16)8-22/h4-5,9-11,15H,6-7,12-13H2,1-3H3/t15-/m1/s1
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| InChIKey |
AXCPODYQWVLWMM-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