General Information of the Compound
| Compound ID |
CP0426053
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| Compound Name |
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)(4-(1-cyclohexyl-2-(diisobutylamino)ethyl)piperazin-1-yl) methanone
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| Structure |
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| Formula |
C35H58F2N4O
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| Molecular Weight |
588.872
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| Canonical SMILES |
CC(C)CN(CC(C)C)CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
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| InChI |
InChI=1S/C35H58F2N4O/c1-25(2)20-38(21-26(3)4)24-33(27-11-9-8-10-12-27)39-15-17-40(18-16-39)34(42)31-23-41(35(5,6)7)22-30(31)29-14-13-28(36)19-32(29)37/h13-14,19,25-27,30-31,33H,8-12,15-18,20-24H2,1-7H3/t30-,31+,33?/m0/s1
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| InChIKey |
DLMAHEURGWWRQJ-BCAKTTGJSA-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