General Information of the Compound
| Compound ID |
CP0733246
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| Compound Name |
(2S,3S)-4-(dimethylamino)-1-((S)-3-fluoropyrrolidin-1-yl)-3-(4-(N-methylacetamido)cyclohexyl)-1,4-dioxobutan-2-aminium chloride
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| Structure |
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| Formula |
C19H34ClFN4O3
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| Molecular Weight |
420.957
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| Canonical SMILES |
CC(=O)N(C)C1CCC([C@H](C(=O)N(C)C)[C@H](N)C(=O)N2CC[C@H](F)C2)CC1.Cl
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| InChI |
InChI=1S/C19H33FN4O3.ClH/c1-12(25)23(4)15-7-5-13(6-8-15)16(18(26)22(2)3)17(21)19(27)24-10-9-14(20)11-24;/h13-17H,5-11,21H2,1-4H3;1H/t13?,14-,15?,16-,17-;/m0./s1
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| InChIKey |
WJFVMOVUOJLPSL-QASVYFJGSA-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