General Information of the Compound
| Compound ID |
CP0491050
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| Compound Name |
(2S)-8-amino-7-[(E)-but-1-enyl]-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 |
C22H35N3O
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| Molecular Weight |
357.542
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| Canonical SMILES |
CC\C=C\c1cc2CN(CCC(C)C)C(=O)[C@H](CC(C)C)Nc2cc1N
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| InChI |
InChI=1S/C22H35N3O/c1-6-7-8-17-12-18-14-25(10-9-15(2)3)22(26)21(11-16(4)5)24-20(18)13-19(17)23/h7-8,12-13,15-16,21,24H,6,9-11,14,23H2,1-5H3/b8-7+/t21-/m0/s1
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| InChIKey |
PZDMWOGAQQZXGY-CQQBXOTJSA-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