General Information of the Compound
| Compound ID |
CP0326646
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| Compound Name |
CHEMBL4069200
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| Formula |
C20H23F2N5
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| Molecular Weight |
371.435
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| Canonical SMILES |
FC1(F)CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N
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| InChI |
InChI=1S/C20H23F2N5/c21-20(22)7-9-27(10-8-20)16-4-2-15(3-5-16)26-19-17-11-14(12-23)1-6-18(17)24-13-25-19/h1,6,11,13,15-16H,2-5,7-10H2,(H,24,25,26)/t15-,16-
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| InChIKey |
CPXVMPAWXPVAJZ-WKILWMFISA-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