General Information of the Compound
| Compound ID |
CP0526947
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| Compound Name |
2-[4-[[4-(3-benzyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-1-yl)phenyl]methyl]phenyl]guanidine
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| Structure |
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| Formula |
C35H36N6O
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| Molecular Weight |
556.714
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| Canonical SMILES |
NC(=N)Nc1ccc(Cc2ccc(cc2)N2c3ccccc3C(=NN(Cc3ccccc3)C2=O)C2CCCCC2)cc1
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| InChI |
InChI=1S/C35H36N6O/c36-34(37)38-29-19-15-25(16-20-29)23-26-17-21-30(22-18-26)41-32-14-8-7-13-31(32)33(28-11-5-2-6-12-28)39-40(35(41)42)24-27-9-3-1-4-10-27/h1,3-4,7-10,13-22,28H,2,5-6,11-12,23-24H2,(H4,36,37,38)
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| InChIKey |
ANCNOLKRROKZMH-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