General Information of the Compound
| Compound ID |
CP0485847
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| Compound Name |
3-(2,4-difluorophenyl)-1-heptyl-1-[5-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)sulfanyl]pentyl]urea
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| Structure |
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| Formula |
C34H40F2N4O2S
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| Molecular Weight |
606.783
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| Canonical SMILES |
CCCCCCCN(CCCCCSC1N=C(c2ccccc2)c2ccccc2NC1=O)C(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C34H40F2N4O2S/c1-2-3-4-5-12-21-40(34(42)38-30-20-19-26(35)24-28(30)36)22-13-7-14-23-43-33-32(41)37-29-18-11-10-17-27(29)31(39-33)25-15-8-6-9-16-25/h6,8-11,15-20,24,33H,2-5,7,12-14,21-23H2,1H3,(H,37,41)(H,38,42)
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| InChIKey |
GNWIAIQULUJWFF-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