General Information of the Compound
| Compound ID |
CP0769155
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| Compound Name |
rac-2-[2-(3-Acetylamino-5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-8-ylamino)-5-chloro-pyrimidin-4-ylamino]-3-fluoro-N-methyl-benzamide 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C28H28ClF4N7O5
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| Molecular Weight |
654.021
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| Canonical SMILES |
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)C(NC(C)=O)CC3(C)C)ncc1Cl.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H27ClFN7O3.C2HF3O2/c1-13(36)31-20-11-26(2,3)16-9-8-14(10-19(16)33-24(20)38)32-25-30-12-17(27)22(35-25)34-21-15(23(37)29-4)6-5-7-18(21)28;3-2(4,5)1(6)7/h5-10,12,20H,11H2,1-4H3,(H,29,37)(H,31,36)(H,33,38)(H2,30,32,34,35);(H,6,7)
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| InChIKey |
XYOPQVWEXJZQCI-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