General Information of the Compound
| Compound ID |
CP0913323
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| Compound Name |
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C17H17F2N7
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| Molecular Weight |
357.368
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| Canonical SMILES |
C[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1
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| InChI |
InChI=1S/C17H17F2N7/c1-9(13-5-4-11(18)7-20-13)22-17-21-8-12(19)16(24-17)23-15-6-14(25-26-15)10-2-3-10/h4-10H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t9-/m0/s1
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| InChIKey |
ZVDOVCKXUJFELK-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