General Information of the Compound
| Compound ID |
CP0371039
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| Compound Name |
N-cyclopropyl-4-[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C22H26FN5
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| Molecular Weight |
379.483
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1
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| InChI |
InChI=1S/C22H26FN5/c23-17-3-6-21-19(12-17)15(13-25-21)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)
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| InChIKey |
BSUPTTROFNUYJX-UHFFFAOYSA-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