General Information of the Compound
| Compound ID |
CP0885425
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| Compound Name |
{7-[Methyl-(4-pyrrolidin-1-yl-but-2-ynyl)-carbamoyl]-heptyl}-carbamic acid tert-butyl ester: (0.25 oxalate)
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| Structure |
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| Formula |
C24H41N3O7
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| Molecular Weight |
483.606
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| Canonical SMILES |
CN(CC#CCN1CCCC1)C(=O)CCCCCCCNC(=O)OC(C)(C)C.O=C(O)C(=O)O
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| InChI |
InChI=1S/C22H39N3O3.C2H2O4/c1-22(2,3)28-21(27)23-15-9-7-5-6-8-14-20(26)24(4)16-10-11-17-25-18-12-13-19-25;3-1(4)2(5)6/h5-9,12-19H2,1-4H3,(H,23,27);(H,3,4)(H,5,6)
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| InChIKey |
GLAHQGOSHONWMZ-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