General Information of the Compound
| Compound ID |
CP0442863
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| Compound Name |
4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3,5-difluorobenzamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C30H31Cl2F2N5O3
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| Molecular Weight |
618.512
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| Canonical SMILES |
CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cc(F)cc(F)c1)C(=O)NCCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C30H31Cl2F2N5O3/c1-2-35-30(42)39-11-3-10-38(12-13-39)27-7-5-20(28(40)36-9-8-19-4-6-22(31)17-25(19)32)16-26(27)37-29(41)21-14-23(33)18-24(34)15-21/h4-7,14-18H,2-3,8-13H2,1H3,(H,35,42)(H,36,40)(H,37,41)
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| InChIKey |
LARCNLLUXNVNLJ-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