General Information of the Compound
| Compound ID |
CP0528786
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| Compound Name |
((3R,4S)-3-((3,5-bis(trifluoromethyl)benzyl)(methyl)amino)-4-phenylpyrrolidin-1-yl)(4-(methylsulfonyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C26H30F6N4O3S
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| Molecular Weight |
592.606
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H]1CN(C[C@@H]1c1ccccc1)C(=O)N1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C26H30F6N4O3S/c1-33(15-18-12-20(25(27,28)29)14-21(13-18)26(30,31)32)23-17-35(16-22(23)19-6-4-3-5-7-19)24(37)34-8-10-36(11-9-34)40(2,38)39/h3-7,12-14,22-23H,8-11,15-17H2,1-2H3/t22-,23+/m1/s1
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| InChIKey |
XNIBNXXHIJXLRT-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