General Information of the Compound
| Compound ID |
CP0292133
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| Compound Name |
2-[[5-chloro-2-[[(3R)-3-[(2-methoxyacetyl)amino]-5,5-dimethyl-2-oxo-3,4-dihydro-1H-1-benzazepin-8-yl]amino]pyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide
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| Structure |
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| Formula |
C27H29ClFN7O4
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| Molecular Weight |
570.025
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| Canonical SMILES |
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)[C@@H](CC3(C)C)NC(=O)COC)c2)ncc1Cl
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| InChI |
InChI=1S/C27H29ClFN7O4/c1-27(2)11-20(33-21(37)13-40-4)25(39)34-19-10-14(8-9-16(19)27)32-26-31-12-17(28)23(36-26)35-22-15(24(38)30-3)6-5-7-18(22)29/h5-10,12,20H,11,13H2,1-4H3,(H,30,38)(H,33,37)(H,34,39)(H2,31,32,35,36)/t20-/m1/s1
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| InChIKey |
ITBJAHYMMJZDJN-HXUWFJFHSA-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