General Information of the Compound
| Compound ID |
CP0526948
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| Compound Name |
2-[3-(3-benzyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-1-yl)phenyl]guanidine
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| Structure |
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| Formula |
C28H30N6O
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| Molecular Weight |
466.589
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| Canonical SMILES |
NC(=N)Nc1cccc(c1)N1c2ccccc2C(=NN(Cc2ccccc2)C1=O)C1CCCCC1
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| InChI |
InChI=1S/C28H30N6O/c29-27(30)31-22-14-9-15-23(18-22)34-25-17-8-7-16-24(25)26(21-12-5-2-6-13-21)32-33(28(34)35)19-20-10-3-1-4-11-20/h1,3-4,7-11,14-18,21H,2,5-6,12-13,19H2,(H4,29,30,31)
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| InChIKey |
ASELOZZDPWFMHX-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