General Information of the Compound
| Compound ID |
CP0724305
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| Compound Name |
(2S,3S)-4-(dimethylamino)-3-(4-(3-fluoro-N-methylbenzamido)cyclohexyl)-1-((S)-3-fluoropyrrolidin-1-yl)-1,4-dioxobutan-2-aminium chloride
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| Structure |
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| Formula |
C24H35ClF2N4O3
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| Molecular Weight |
501.018
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| Canonical SMILES |
CN(C)C(=O)[C@@H](C1CCC(N(C)C(=O)c2cccc(F)c2)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1.Cl
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| InChI |
InChI=1S/C24H34F2N4O3.ClH/c1-28(2)23(32)20(21(27)24(33)30-12-11-18(26)14-30)15-7-9-19(10-8-15)29(3)22(31)16-5-4-6-17(25)13-16;/h4-6,13,15,18-21H,7-12,14,27H2,1-3H3;1H/t15?,18-,19?,20-,21-;/m0./s1
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| InChIKey |
GCLBQCNQEWDNKF-YBBJJKRYSA-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