General Information of the Compound
| Compound ID |
CP0038293
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| Compound Name |
(R)-3-(5-Trifluoromethyl-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester
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| Formula |
C22H27F3N4O3
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| Molecular Weight |
452.477
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| Canonical SMILES |
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ccc(cn1)C(F)(F)F)C(C3)C2
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| InChI |
InChI=1S/C22H27F3N4O3/c23-22(24,25)15-1-2-17(27-10-15)28-16-3-4-29(11-16)20(31)32-18-13-5-12-6-14(18)9-21(7-12,8-13)19(26)30/h1-2,10,12-14,16,18H,3-9,11H2,(H2,26,30)(H,27,28)/t12?,13?,14?,16-,18-,21-/m1/s1
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| InChIKey |
MREFPLHQTKDQLT-HSPRIFCFSA-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