General Information of the Compound
| Compound ID |
CP0078508
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| Compound Name |
methyl N-[(3R)-8-[[5-chloro-4-[2-fluoro-6-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]-5,5-dimethyl-2-oxo-3,4-dihydro-1H-1-benzazepin-3-yl]carbamate
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| Structure |
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| Formula |
C26H27ClFN7O4
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| Molecular Weight |
555.998
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| Canonical SMILES |
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)[C@@H](CC3(C)C)NC(=O)OC)c2)ncc1Cl
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| InChI |
InChI=1S/C26H27ClFN7O4/c1-26(2)11-19(33-25(38)39-4)23(37)32-18-10-13(8-9-15(18)26)31-24-30-12-16(27)21(35-24)34-20-14(22(36)29-3)6-5-7-17(20)28/h5-10,12,19H,11H2,1-4H3,(H,29,36)(H,32,37)(H,33,38)(H2,30,31,34,35)/t19-/m1/s1
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| InChIKey |
XMKAFTZMVDNUII-LJQANCHMSA-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