General Information of the Compound
| Compound ID |
CP0848705
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| Compound Name |
8-Amino-octanoic acid methyl-(4-pyrrolidin-1-yl-but-2-ynyl)-amide: (2 TFA)
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| Structure |
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| Formula |
C21H33F6N3O5
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| Molecular Weight |
521.499
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| Canonical SMILES |
CN(CC#CCN1CCCC1)C(=O)CCCCCCCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H31N3O.2C2HF3O2/c1-19(13-7-8-14-20-15-9-10-16-20)17(21)11-5-3-2-4-6-12-18;2*3-2(4,5)1(6)7/h2-6,9-16,18H2,1H3;2*(H,6,7)
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| InChIKey |
LUAZXZFLXZINKC-UHFFFAOYSA-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