General Information of the Compound
| Compound ID |
CP0397577
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| Compound Name |
2,2-Bis-(4-chloro-phenyl)-N-[4-guanidino-1-(1,3,4,5-tetrahydro-benzo[c]azepine-2-carbonyl)-butyl]-acetamide
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| Structure |
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| Formula |
C30H33Cl2N5O2
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| Molecular Weight |
566.533
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc2C1
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| InChI |
InChI=1S/C30H33Cl2N5O2/c31-24-13-9-21(10-14-24)27(22-11-15-25(32)16-12-22)28(38)36-26(8-3-17-35-30(33)34)29(39)37-18-4-7-20-5-1-2-6-23(20)19-37/h1-2,5-6,9-16,26-27H,3-4,7-8,17-19H2,(H,36,38)(H4,33,34,35)
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| InChIKey |
FJEXKKYVPZKZSJ-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