General Information of the Compound
| Compound ID |
CP0060924
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| Compound Name |
(R)-3-(6-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)Nc1cccc(n1)C(F)(F)F)C(C3)C2
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| InChI |
InChI=1S/C22H27F3N4O3/c23-22(24,25)16-2-1-3-17(28-16)27-15-4-5-29(11-15)20(31)32-18-13-6-12-7-14(18)10-21(8-12,9-13)19(26)30/h1-3,12-15,18H,4-11H2,(H2,26,30)(H,27,28)/t12?,13?,14?,15-,18-,21-/m1/s1
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| InChIKey |
ZQNGHWKIWRZPIR-GUIVANKOSA-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