General Information of the Compound
| Compound ID |
CP0922256
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| Compound Name |
(S)-1-(4-bromophenyl)-3-(1-oxo-3-phenyl-1-(pyrrolidin-1-yl)propan-2-yl)urea
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| Structure |
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| Formula |
C20H22BrN3O2
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| Molecular Weight |
416.319
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| Canonical SMILES |
O=C(Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C20H22BrN3O2/c21-16-8-10-17(11-9-16)22-20(26)23-18(14-15-6-2-1-3-7-15)19(25)24-12-4-5-13-24/h1-3,6-11,18H,4-5,12-14H2,(H2,22,23,26)/t18-/m0/s1
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| InChIKey |
LWXJYTVTVMUJLQ-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