General Information of the Compound
| Compound ID |
CP0931517
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| Compound Name |
1-Benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-[1,4]-diazepan-1-yl)propan-1-one
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| Structure |
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| Formula |
C24H24N4OS
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| Molecular Weight |
416.55
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| Canonical SMILES |
O=C(CCN1CCCN(c2cnc3ccccc3n2)CC1)c1csc2ccccc12
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| InChI |
InChI=1S/C24H24N4OS/c29-22(19-17-30-23-9-4-1-6-18(19)23)10-13-27-11-5-12-28(15-14-27)24-16-25-20-7-2-3-8-21(20)26-24/h1-4,6-9,16-17H,5,10-15H2
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| InChIKey |
PLUYBLULVPKJTP-UHFFFAOYSA-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