General Information of the Compound
| Compound ID |
CP0555759
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| Compound Name |
N-[(1R,2S,5R)-5-(dimethylamino)-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 |
C23H29F3N6O2
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| Molecular Weight |
478.519
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| Canonical SMILES |
CN(C)[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/C23H29F3N6O2/c1-13(33)29-19-11-15(31(2)3)5-7-20(19)32-9-8-18(22(32)34)30-21-16-10-14(23(24,25)26)4-6-17(16)27-12-28-21/h4,6,10,12,15,18-20H,5,7-9,11H2,1-3H3,(H,29,33)(H,27,28,30)/t15-,18+,19-,20+/m1/s1
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| InChIKey |
MTLYFKMTORWDHI-NMLACTOBSA-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