General Information of the Compound
| Compound ID |
CP0434214
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-4-phenyl-1-(pyrimidine-4-carbonyl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C26H22F6N4O2
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| Molecular Weight |
536.476
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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]1c1ccccc1)C(=O)c1ccncn1
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| InChI |
InChI=1S/C26H22F6N4O2/c1-35(12-16-9-18(25(27,28)29)11-19(10-16)26(30,31)32)23(37)21-14-36(24(38)22-7-8-33-15-34-22)13-20(21)17-5-3-2-4-6-17/h2-11,15,20-21H,12-14H2,1H3/t20-,21+/m1/s1
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| InChIKey |
ZTGSEUWFJJLFQO-RTWAWAEBSA-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