General Information of the Compound
| Compound ID |
CP0957937
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| Compound Name |
(S)-ethyl 1-(2-(3-(4-bromophenyl)ureido)-3-phenylpropanoyl)piperidine-4-carboxylate
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| Structure |
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| Formula |
C24H28BrN3O4
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| Molecular Weight |
502.409
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| Canonical SMILES |
CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)Nc2ccc(Br)cc2)CC1
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| InChI |
InChI=1S/C24H28BrN3O4/c1-2-32-23(30)18-12-14-28(15-13-18)22(29)21(16-17-6-4-3-5-7-17)27-24(31)26-20-10-8-19(25)9-11-20/h3-11,18,21H,2,12-16H2,1H3,(H2,26,27,31)/t21-/m0/s1
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| InChIKey |
GDVMXEUYRPXZMC-NRFANRHFSA-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