General Information of the Compound
| Compound ID |
CP0295926
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| Compound Name |
2-[5-Chloro-2-(2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-ylamino)-pyrimidin-4-ylamino]-3-fluoro-N-methyl-benzamide
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| Structure |
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| Formula |
C22H20ClFN6O2
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| Molecular Weight |
454.893
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| Canonical SMILES |
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3CCCC(=O)Nc3c2)ncc1Cl
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| InChI |
InChI=1S/C22H20ClFN6O2/c1-25-21(32)14-5-3-6-16(24)19(14)29-20-15(23)11-26-22(30-20)27-13-9-8-12-4-2-7-18(31)28-17(12)10-13/h3,5-6,8-11H,2,4,7H2,1H3,(H,25,32)(H,28,31)(H2,26,27,29,30)
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| InChIKey |
YJFOJLPHZMITIB-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