General Information of the Compound
| Compound ID |
CP0478427
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| Compound Name |
(2S)-4-(3-methylbutyl)-2-(2-methylpropyl)-2,5-dihydro-1H-1,4-benzodiazepin-3-one
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| Structure |
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| Formula |
C18H28N2O
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| Molecular Weight |
288.435
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| Canonical SMILES |
CC(C)CCN1Cc2ccccc2N[C@@H](CC(C)C)C1=O
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| InChI |
InChI=1S/C18H28N2O/c1-13(2)9-10-20-12-15-7-5-6-8-16(15)19-17(18(20)21)11-14(3)4/h5-8,13-14,17,19H,9-12H2,1-4H3/t17-/m0/s1
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| InChIKey |
DLXJXPPNQSXJJF-KRWDZBQOSA-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