General Information of the Compound
| Compound ID |
CP0176091
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| Compound Name |
N-[(1R,2S,5R)-5-(methylamino)-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]acetamide
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| Structure |
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| Formula |
C22H27F3N6O2
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| Molecular Weight |
464.492
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| Canonical SMILES |
CN[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C22H27F3N6O2/c1-12(32)29-18-10-14(26-2)4-6-19(18)31-8-7-17(21(31)33)30-20-15-9-13(22(23,24)25)3-5-16(15)27-11-28-20/h3,5,9,11,14,17-19,26H,4,6-8,10H2,1-2H3,(H,29,32)(H,27,28,30)/t14-,17+,18-,19+/m1/s1
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| InChIKey |
XAEGFERQJKCQQO-FDPIWHGQSA-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