General Information of the Compound
| Compound ID |
CP0894016
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| Compound Name |
{6-[Methyl-(4-pyrrolidin-1-yl-but-2-ynyl)-carbamoyl]-hexyl}-carbamic acid tert-butyl ester: (0.5 oxalate)
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| Structure |
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| Formula |
C23H39N3O7
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| Molecular Weight |
469.579
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| Canonical SMILES |
CN(CC#CCN1CCCC1)C(=O)CCCCCCNC(=O)OC(C)(C)C.O=C(O)C(=O)O
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| InChI |
InChI=1S/C21H37N3O3.C2H2O4/c1-21(2,3)27-20(26)22-14-8-6-5-7-13-19(25)23(4)15-9-10-16-24-17-11-12-18-24;3-1(4)2(5)6/h5-8,11-18H2,1-4H3,(H,22,26);(H,3,4)(H,5,6)
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| InChIKey |
NTTSCLHTHGXRAA-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