General Information of the Compound
| Compound ID |
CP0479548
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| Compound Name |
(R)-3-(4-Trifluoromethyl-pyrimidin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester
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| Formula |
C21H26F3N5O3
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| Molecular Weight |
453.465
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| Canonical SMILES |
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1nccc(n1)C(F)(F)F)C(C3)C2
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| InChI |
InChI=1S/C21H26F3N5O3/c22-21(23,24)15-1-3-26-18(28-15)27-14-2-4-29(10-14)19(31)32-16-12-5-11-6-13(16)9-20(7-11,8-12)17(25)30/h1,3,11-14,16H,2,4-10H2,(H2,25,30)(H,26,27,28)/t11?,12?,13?,14-,16-,20-/m1/s1
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| InChIKey |
DVTGTHNYDDOEIF-PLYQKJOVSA-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