General Information of the Compound
| Compound ID |
CP0013951
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| Compound Name |
tert-butyl N-[2-(ethoxycarbonylamino)-5-[(4-fluorophenyl)methyl-prop-2-ynylamino]phenyl]carbamate
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| Structure |
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| Formula |
C24H28FN3O4
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| Molecular Weight |
441.503
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| Canonical SMILES |
CCOC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)N(CC#C)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C24H28FN3O4/c1-6-14-28(16-17-8-10-18(25)11-9-17)19-12-13-20(26-22(29)31-7-2)21(15-19)27-23(30)32-24(3,4)5/h1,8-13,15H,7,14,16H2,2-5H3,(H,26,29)(H,27,30)
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| InChIKey |
FWQHRZXEQNUCSY-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
Protein ID: PT03090, Potassium voltage-gated channel subfamily KQT member 2
Protein ID: PT06018, Potassium voltage-gated channel subfamily KQT member 4
Protein ID: PT04631, Potassium voltage-gated channel subfamily KQT member 5