General Information of the Compound
| Compound ID |
CP0157416
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| Compound Name |
4-(5-cyano-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-ylamino)-N-ethylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C21H22FN7O
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| Molecular Weight |
407.453
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| Canonical SMILES |
CCNC(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1c[nH]c2cc(F)ccc12
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| InChI |
InChI=1S/C21H22FN7O/c1-2-24-21(30)29-7-5-15(6-8-29)27-20-26-11-13(10-23)19(28-20)17-12-25-18-9-14(22)3-4-16(17)18/h3-4,9,11-12,15,25H,2,5-8H2,1H3,(H,24,30)(H,26,27,28)
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| InChIKey |
XVLIRDXMQGPGCW-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