General Information of the Compound
| Compound ID |
CP0789384
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| Compound Name |
(2S,3S)-3-(4-(2,4-difluorophenylsulfonamido)cyclohexyl)-4-(dimethylamino)-1-((S)-3-fluoropyrrolidin-1-yl)-1,4-dioxobutan-2-aminium chloride
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| Structure |
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| Formula |
C22H32ClF3N4O4S
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| Molecular Weight |
541.036
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| Canonical SMILES |
CN(C)C(=O)[C@@H](C1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1.Cl
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| InChI |
InChI=1S/C22H31F3N4O4S.ClH/c1-28(2)21(30)19(20(26)22(31)29-10-9-15(24)12-29)13-3-6-16(7-4-13)27-34(32,33)18-8-5-14(23)11-17(18)25;/h5,8,11,13,15-16,19-20,27H,3-4,6-7,9-10,12,26H2,1-2H3;1H/t13?,15-,16?,19-,20-;/m0./s1
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| InChIKey |
CTJQEVSYGBFELN-CYCYLAOFSA-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