General Information of the Compound
| Compound ID |
CP0555761
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| Compound Name |
N-[(1R,2S,5R)-5-amino-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 |
C21H25F3N6O2
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| Molecular Weight |
450.465
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| Canonical SMILES |
CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C21H25F3N6O2/c1-11(31)28-17-9-13(25)3-5-18(17)30-7-6-16(20(30)32)29-19-14-8-12(21(22,23)24)2-4-15(14)26-10-27-19/h2,4,8,10,13,16-18H,3,5-7,9,25H2,1H3,(H,28,31)(H,26,27,29)/t13-,16+,17-,18+/m1/s1
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| InChIKey |
VLRDSZCQUGDLOB-RNJTYBCJSA-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