General Information of the Compound
| Compound ID |
CP0429817
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| Compound Name |
1-(3-Amino-benzyl)-3-benzyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
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| Structure |
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| Formula |
C29H25N3O
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| Molecular Weight |
431.539
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| Canonical SMILES |
Nc1cccc(CN2c3ccccc3C(=NC(Cc3ccccc3)C2=O)c2ccccc2)c1
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| InChI |
InChI=1S/C29H25N3O/c30-24-15-9-12-22(18-24)20-32-27-17-8-7-16-25(27)28(23-13-5-2-6-14-23)31-26(29(32)33)19-21-10-3-1-4-11-21/h1-18,26H,19-20,30H2
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| InChIKey |
WNBYVNPNUSRLSQ-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