General Information of the Compound
| Compound ID |
CP0704352
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| Compound Name |
(2S,3S)-4-(dimethylamino)-1-((S)-3-fluoropyrrolidin-1-yl)-1,4-dioxo-3-(4-(4-(trifluoromethoxy)phenylsulfonamido)cyclohexyl)butan-2-aminium chloride
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| Structure |
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| Formula |
C23H33ClF4N4O5S
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| Molecular Weight |
589.052
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| Canonical SMILES |
CN(C)C(=O)[C@@H](C1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1.Cl
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| InChI |
InChI=1S/C23H32F4N4O5S.ClH/c1-30(2)21(32)19(20(28)22(33)31-12-11-15(24)13-31)14-3-5-16(6-4-14)29-37(34,35)18-9-7-17(8-10-18)36-23(25,26)27;/h7-10,14-16,19-20,29H,3-6,11-13,28H2,1-2H3;1H/t14?,15-,16?,19-,20-;/m0./s1
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| InChIKey |
KJUADZOFIOFFDS-QHFFDDKCSA-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