General Information of the Compound
| Compound ID |
CP0459896
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| Compound Name |
(2S)-7-[(E)-4-hydroxybut-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 |
C22H34N2O2
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| Molecular Weight |
358.526
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| Canonical SMILES |
CC(C)CCN1Cc2cc(\C=C\CCO)ccc2N[C@@H](CC(C)C)C1=O
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| InChI |
InChI=1S/C22H34N2O2/c1-16(2)10-11-24-15-19-14-18(7-5-6-12-25)8-9-20(19)23-21(22(24)26)13-17(3)4/h5,7-9,14,16-17,21,23,25H,6,10-13,15H2,1-4H3/b7-5+/t21-/m0/s1
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| InChIKey |
DYTFJIJULYDCOX-XYASWCNUSA-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