General Information of the Compound
| Compound ID |
CP0515657
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| Compound Name |
1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-3-ethylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
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| Structure |
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| Formula |
C27H27F2N3O2
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| Molecular Weight |
463.528
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| Canonical SMILES |
CCc1cc(ccc1CNC(=O)Nc1c(F)cccc1F)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C27H27F2N3O2/c1-2-18-16-20(26(33)32-15-6-5-9-19-8-3-4-12-24(19)32)13-14-21(18)17-30-27(34)31-25-22(28)10-7-11-23(25)29/h3-4,7-8,10-14,16H,2,5-6,9,15,17H2,1H3,(H2,30,31,34)
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| InChIKey |
DGBUVSLRNXAUMV-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