General Information of the Compound
| Compound ID |
CP0703919
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| Compound Name |
(2S,3S)-3-(4-(3-fluoro-N-methylbenzamido)cyclohexyl)-1-((S)-3-fluoropyrrolidin-1-yl)-1-oxobutan-2-aminium chloride
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| Structure |
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| Formula |
C22H32ClF2N3O2
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| Molecular Weight |
443.966
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| Canonical SMILES |
C[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/C22H31F2N3O2.ClH/c1-14(20(25)22(29)27-11-10-18(24)13-27)15-6-8-19(9-7-15)26(2)21(28)16-4-3-5-17(23)12-16;/h3-5,12,14-15,18-20H,6-11,13,25H2,1-2H3;1H/t14-,15?,18-,19?,20-;/m0./s1
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| InChIKey |
STEJFOMUMNPOJT-VGHUEMAXSA-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