General Information of the Compound
| Compound ID |
CP0491052
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| Compound Name |
ethyl 4-[(2S)-8-amino-4-(3-methylbutyl)-2-(2-methylpropyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethoxy)benzoate
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| Structure |
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| Formula |
C29H41N3O5
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| Molecular Weight |
511.663
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| Canonical SMILES |
CCOC(=O)c1ccc(c(OCCO)c1)-c1cc2CN(CCC(C)C)C(=O)[C@H](CC(C)C)Nc2cc1N
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| InChI |
InChI=1S/C29H41N3O5/c1-6-36-29(35)20-7-8-22(27(15-20)37-12-11-33)23-14-21-17-32(10-9-18(2)3)28(34)26(13-19(4)5)31-25(21)16-24(23)30/h7-8,14-16,18-19,26,31,33H,6,9-13,17,30H2,1-5H3/t26-/m0/s1
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| InChIKey |
ZGLHBQVCXCGJDQ-SANMLTNESA-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