General Information of the Compound
| Compound ID |
CP0237870
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| Compound Name |
2-{5-Chloro-2-[1-(2-methoxy-ethyl)-5,5-dimethyl-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 |
C27H30ClFN6O3
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| Molecular Weight |
541.027
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| Canonical SMILES |
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)N(CCOC)C(=O)CCC3(C)C)ncc1Cl
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| InChI |
InChI=1S/C27H30ClFN6O3/c1-27(2)11-10-22(36)35(12-13-38-4)21-14-16(8-9-18(21)27)32-26-31-15-19(28)24(34-26)33-23-17(25(37)30-3)6-5-7-20(23)29/h5-9,14-15H,10-13H2,1-4H3,(H,30,37)(H2,31,32,33,34)
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| InChIKey |
PRRFEHPXFCRKNK-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