General Information of the Compound
| Compound ID |
CP0516259
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| Compound Name |
N-[(1R,2S,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-N-methylpyrazin-2-amine
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| Structure |
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| Formula |
C26H24F7N3O
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| Molecular Weight |
527.484
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)c1cnccn1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H24F7N3O/c1-15(17-11-18(25(28,29)30)13-19(12-17)26(31,32)33)37-22-8-7-21(36(2)23-14-34-9-10-35-23)24(22)16-3-5-20(27)6-4-16/h3-6,9-15,21-22,24H,7-8H2,1-2H3/t15-,21-,22+,24+/m1/s1
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| InChIKey |
CPYUQXLLIOFGQM-LMIIYESCSA-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