General Information of the Compound
| Compound ID |
CP0919693
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| Compound Name |
(S)-2-(3-(4-bromophenyl)ureido)-N-(2-oxo-1,3-diazepan-1-yl)-3-phenylpropanamide
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| Structure |
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| Formula |
C21H24BrN5O3
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| Molecular Weight |
474.359
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| Canonical SMILES |
O=C(Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)NN1CCCCNC1=O
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| InChI |
InChI=1S/C21H24BrN5O3/c22-16-8-10-17(11-9-16)24-20(29)25-18(14-15-6-2-1-3-7-15)19(28)26-27-13-5-4-12-23-21(27)30/h1-3,6-11,18H,4-5,12-14H2,(H,23,30)(H,26,28)(H2,24,25,29)/t18-/m0/s1
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| InChIKey |
KETVMWVCNGMZIZ-SFHVURJKSA-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