General Information of the Compound
| Compound ID |
CP0495743
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| Compound Name |
2-[4-(3-benzyl-5-cyclohexyl-8-methyl-2-oxo-1,3,4-benzotriazepin-1-yl)phenyl]guanidine
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| Structure |
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| Formula |
C29H32N6O
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| Molecular Weight |
480.616
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| Canonical SMILES |
Cc1ccc2c(c1)N(c1ccc(NC(N)=N)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1
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| InChI |
InChI=1S/C29H32N6O/c1-20-12-17-25-26(18-20)35(24-15-13-23(14-16-24)32-28(30)31)29(36)34(19-21-8-4-2-5-9-21)33-27(25)22-10-6-3-7-11-22/h2,4-5,8-9,12-18,22H,3,6-7,10-11,19H2,1H3,(H4,30,31,32)
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| InChIKey |
DIMXGQBKBGOKPH-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