General Information of the Compound
| Compound ID |
CP0500473
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| Compound Name |
2-(4-Chloro-phenyl)-N-[4-guanidino-1-(1,3,4,5-tetrahydro-benzo[c]azepine-2-carbonyl)-butyl]-2-phenyl-acetamide
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| Structure |
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| Formula |
C30H34ClN5O2
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| Molecular Weight |
532.088
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc2C1
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| InChI |
InChI=1S/C30H34ClN5O2/c31-25-16-14-23(15-17-25)27(22-9-2-1-3-10-22)28(37)35-26(13-6-18-34-30(32)33)29(38)36-19-7-12-21-8-4-5-11-24(21)20-36/h1-5,8-11,14-17,26-27H,6-7,12-13,18-20H2,(H,35,37)(H4,32,33,34)
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| InChIKey |
QGHLEPZBTTVHGJ-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