General Information of the Compound
| Compound ID |
CP0215155
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methylpyrazine-5-carbonyl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C28H25F7N4O2
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| Molecular Weight |
582.52
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)c1cnc(C)cn1
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| InChI |
InChI=1S/C28H25F7N4O2/c1-15-6-20(29)4-5-21(15)22-13-39(26(41)24-11-36-16(2)10-37-24)14-23(22)25(40)38(3)12-17-7-18(27(30,31)32)9-19(8-17)28(33,34)35/h4-11,22-23H,12-14H2,1-3H3/t22-,23+/m1/s1
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| InChIKey |
PDQQOEIEIIKGPR-PKTZIBPZSA-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