General Information of the Compound
| Compound ID |
CP0482053
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| Compound Name |
(2S)-8-amino-4-(3-methylbutyl)-2-(2-methylpropyl)-7-phenyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one
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| Structure |
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| Formula |
C24H33N3O
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| Molecular Weight |
379.548
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| Canonical SMILES |
CC(C)CCN1Cc2cc(c(N)cc2N[C@@H](CC(C)C)C1=O)-c1ccccc1
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| InChI |
InChI=1S/C24H33N3O/c1-16(2)10-11-27-15-19-13-20(18-8-6-5-7-9-18)21(25)14-22(19)26-23(24(27)28)12-17(3)4/h5-9,13-14,16-17,23,26H,10-12,15,25H2,1-4H3/t23-/m0/s1
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| InChIKey |
XSIJHAXKDKGZCN-QHCPKHFHSA-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