General Information of the Compound
| Compound ID |
CP0011796
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| Compound Name |
4-amino-6-[[(1S)-1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C17H16FN7
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| Molecular Weight |
337.362
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1C1CC1
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| InChI |
InChI=1S/C17H16FN7/c1-9(23-16-12(7-19)15(20)21-8-22-16)17-24-13-5-2-10(18)6-14(13)25(17)11-3-4-11/h2,5-6,8-9,11H,3-4H2,1H3,(H3,20,21,22,23)/t9-/m0/s1
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| InChIKey |
AGSDLKKFIVSFNC-VIFPVBQESA-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