General Information of the Compound
| Compound ID |
CP0503493
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| Compound Name |
1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-2-fluorobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
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| Structure |
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| Formula |
C25H22F3N3O2
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| Molecular Weight |
453.464
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| Canonical SMILES |
Fc1cc(CNC(=O)Nc2c(F)cccc2F)ccc1C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C25H22F3N3O2/c26-19-8-5-9-20(27)23(19)30-25(33)29-15-16-11-12-18(21(28)14-16)24(32)31-13-4-3-7-17-6-1-2-10-22(17)31/h1-2,5-6,8-12,14H,3-4,7,13,15H2,(H2,29,30,33)
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| InChIKey |
DKBFFKQQPFIVDI-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