General Information of the Compound
| Compound ID |
CP0448979
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| Compound Name |
2-[3-[(3-benzyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)methyl]phenyl]guanidine
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| Structure |
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| Formula |
C30H27N5O
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| Molecular Weight |
473.58
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| Canonical SMILES |
NC(N)=Nc1cccc(CN2c3ccccc3C(=NC(Cc3ccccc3)C2=O)c2ccccc2)c1
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| InChI |
InChI=1S/C30H27N5O/c31-30(32)33-24-15-9-12-22(18-24)20-35-27-17-8-7-16-25(27)28(23-13-5-2-6-14-23)34-26(29(35)36)19-21-10-3-1-4-11-21/h1-18,26H,19-20H2,(H4,31,32,33)
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| InChIKey |
OMYRQCNQLFNKJA-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