General Information of the Compound
| Compound ID |
CP0709548
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| Compound Name |
(2S,3S)-1-((S)-3-fluoropyrrolidin-1-yl)-3-(4-(4-methoxy-N-methylbenzamido)cyclohexyl)-1-oxobutan-2-aminium chloride
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| Structure |
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| Formula |
C23H35ClFN3O3
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| Molecular Weight |
456.002
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| Canonical SMILES |
COc1ccc(C(=O)N(C)C2CCC([C@H](C)[C@H](N)C(=O)N3CC[C@H](F)C3)CC2)cc1.Cl
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| InChI |
InChI=1S/C23H34FN3O3.ClH/c1-15(21(25)23(29)27-13-12-18(24)14-27)16-4-8-19(9-5-16)26(2)22(28)17-6-10-20(30-3)11-7-17;/h6-7,10-11,15-16,18-19,21H,4-5,8-9,12-14,25H2,1-3H3;1H/t15-,16?,18-,19?,21-;/m0./s1
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| InChIKey |
FIYXBPHSDDBTIA-UBFWKJJLSA-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