General Information of the Compound
| Compound ID |
CP0703918
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| Compound Name |
(2S,3S)-1-((S)-3-fluoropyrrolidin-1-yl)-3-(4-(N-methylcyclopropanecarboxamido)cyclohexyl)-1-oxobutan-2-aminium chloride
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| Structure |
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| Formula |
C19H33ClFN3O2
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| Molecular Weight |
389.943
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| Canonical SMILES |
C[C@@H](C1CCC(N(C)C(=O)C2CC2)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1.Cl
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| InChI |
InChI=1S/C19H32FN3O2.ClH/c1-12(17(21)19(25)23-10-9-15(20)11-23)13-5-7-16(8-6-13)22(2)18(24)14-3-4-14;/h12-17H,3-11,21H2,1-2H3;1H/t12-,13?,15-,16?,17-;/m0./s1
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| InChIKey |
DRMUQMMLDVXKGM-YMBIKIKRSA-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