General Information of the Compound
| Compound ID |
CP0912343
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| Compound Name |
rac-2-{5-Chloro-2-[3-(2-dimethylamino-acetylamino)-5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-8-ylamino]-pyrimidin-4-ylamino}-3-fluoro-N-methyl-benzamide 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C30H33ClF4N8O5
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| Molecular Weight |
697.09
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| Canonical SMILES |
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)C(NC(=O)CN(C)C)CC3(C)C)ncc1Cl.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C28H32ClFN8O3.C2HF3O2/c1-28(2)12-21(34-22(39)14-38(4)5)26(41)35-20-11-15(9-10-17(20)28)33-27-32-13-18(29)24(37-27)36-23-16(25(40)31-3)7-6-8-19(23)30;3-2(4,5)1(6)7/h6-11,13,21H,12,14H2,1-5H3,(H,31,40)(H,34,39)(H,35,41)(H2,32,33,36,37);(H,6,7)
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| InChIKey |
SUYGFOIHVCODJK-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