General Information of the Compound
| Compound ID |
CP0384208
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| Compound Name |
ethyl N-[2-(ethoxycarbonylamino)-4-[(4-fluorophenyl)methyl-prop-2-ynylamino]phenyl]carbamate
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| Structure |
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| Formula |
C22H24FN3O4
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| Molecular Weight |
413.449
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| Canonical SMILES |
CCOC(=O)Nc1ccc(cc1NC(=O)OCC)N(CC#C)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C22H24FN3O4/c1-4-13-26(15-16-7-9-17(23)10-8-16)18-11-12-19(24-21(27)29-5-2)20(14-18)25-22(28)30-6-3/h1,7-12,14H,5-6,13,15H2,2-3H3,(H,24,27)(H,25,28)
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| InChIKey |
IXCVFHVYOARRRS-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