General Information of the Compound
| Compound ID |
CP0490345
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| Compound Name |
3-(4-aminobutyl)-8-chloro-1-(naphthalen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
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| Structure |
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| Formula |
C24H24ClN3O2
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| Molecular Weight |
421.928
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| Canonical SMILES |
NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccc3ccccc3c2)C1=O
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| InChI |
InChI=1S/C24H24ClN3O2/c25-19-10-11-20-22(14-19)28(24(30)21(27-23(20)29)7-3-4-12-26)15-16-8-9-17-5-1-2-6-18(17)13-16/h1-2,5-6,8-11,13-14,21H,3-4,7,12,15,26H2,(H,27,29)
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| InChIKey |
IQTNNPZWBIUVSN-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