General Information of the Compound
Compound ID |
CP0293014
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Compound Name |
3-[5-Chloro-4-(2-fluoro-6-methylcarbamoyl-phenylamino)-pyrimidin-2-ylamino]-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid isopropyl ester
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Structure |
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Formula |
C25H26ClFN6O4
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Molecular Weight |
528.972
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Canonical SMILES |
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3N(CCCOc3c2)C(=O)OC(C)C)ncc1Cl
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InChI |
InChI=1S/C25H26ClFN6O4/c1-14(2)37-25(35)33-10-5-11-36-20-12-15(8-9-19(20)33)30-24-29-13-17(26)22(32-24)31-21-16(23(34)28-3)6-4-7-18(21)27/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,28,34)(H2,29,30,31,32)
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InChIKey |
LVFUTSYJVODLJN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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