General Information of the Compound
| Compound ID |
CP0342235
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| Compound Name |
2-{5-Chloro-2-[9-(2-methoxy-acetyl)-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-3-ylamino]-pyrimidin-4-ylamino}-3-fluoro-N-methyl-benzamide
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| Structure |
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| Formula |
C24H24ClFN6O4
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| Molecular Weight |
514.945
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| Canonical SMILES |
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3N(CCCOc3c2)C(=O)COC)ncc1Cl
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| InChI |
InChI=1S/C24H24ClFN6O4/c1-27-23(34)15-5-3-6-17(26)21(15)30-22-16(25)12-28-24(31-22)29-14-7-8-18-19(11-14)36-10-4-9-32(18)20(33)13-35-2/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,27,34)(H2,28,29,30,31)
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| InChIKey |
DNRDWKZUFWVTKE-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