General Information of the Compound
| Compound ID |
CP0425142
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| Compound Name |
1-((3R,6S)-6-(3-bromophenyl)bicyclo[4.1.0]heptan-3-yl)-3-(3,4-difluorophenyl)-1-(2-(diisopropylamino)ethyl)urea
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| Structure |
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| Formula |
C28H36BrF2N3O
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| Molecular Weight |
548.516
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| Canonical SMILES |
CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(Br)c1)C(=O)Nc1ccc(F)c(F)c1)C(C)C
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| InChI |
InChI=1S/C28H36BrF2N3O/c1-18(2)33(19(3)4)12-13-34(27(35)32-23-8-9-25(30)26(31)16-23)24-10-11-28(17-21(28)15-24)20-6-5-7-22(29)14-20/h5-9,14,16,18-19,21,24H,10-13,15,17H2,1-4H3,(H,32,35)/t21?,24-,28-/m1/s1
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| InChIKey |
AVQPXABTEFSDRR-UOOTYMSZSA-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