General Information of the Compound
| Compound ID |
CP0419637
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| Compound Name |
US9340500, I-020
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| Structure |
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| Formula |
C26H28N4O2S
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| Molecular Weight |
460.603
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1nc2ccccc2s1
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| InChI |
InChI=1S/C26H28N4O2S/c1-19-21(25(31)28-26-27-22-10-5-6-11-24(22)33-26)18-23(20-8-3-2-4-9-20)30(19)13-7-12-29-14-16-32-17-15-29/h2-6,8-11,18H,7,12-17H2,1H3,(H,27,28,31)
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| InChIKey |
BGEBCTLEGVZWFI-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