General Information of the Compound
| Compound ID |
CP0440010
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| Compound Name |
tert-butyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
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| Structure |
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| Formula |
C26H32FN3O4
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| Molecular Weight |
469.557
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| Canonical SMILES |
CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)N(CC#C)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C26H32FN3O4/c1-8-15-30(17-18-9-11-19(27)12-10-18)20-13-14-21(28-23(31)33-25(2,3)4)22(16-20)29-24(32)34-26(5,6)7/h1,9-14,16H,15,17H2,2-7H3,(H,28,31)(H,29,32)
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| InChIKey |
RWGLOYVKHMTDFT-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