General Information of the Compound
| Compound ID |
CP0555760
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| Compound Name |
N-[(1R,2S,5R)-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]-5-(propan-2-ylamino)cyclohexyl]acetamide
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| Structure |
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| Formula |
C24H31F3N6O2
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| Molecular Weight |
492.546
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| Canonical SMILES |
CC(C)N[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/C24H31F3N6O2/c1-13(2)30-16-5-7-21(20(11-16)31-14(3)34)33-9-8-19(23(33)35)32-22-17-10-15(24(25,26)27)4-6-18(17)28-12-29-22/h4,6,10,12-13,16,19-21,30H,5,7-9,11H2,1-3H3,(H,31,34)(H,28,29,32)/t16-,19+,20-,21+/m1/s1
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| InChIKey |
SBACNZXDGSTOEH-RCOXNQKVSA-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