General Information of the Compound
| Compound ID |
CP0577888
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| Compound Name |
US9428456, 2.024
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| Structure |
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| Formula |
C24H25ClN4O2S
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| Molecular Weight |
469.01
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NCc2nccs2)c1
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| InChI |
InChI=1S/C24H25ClN4O2S/c25-20-6-4-18(5-7-20)24(31)28-21-3-1-2-17(14-21)16-29-11-8-19(9-12-29)23(30)27-15-22-26-10-13-32-22/h1-7,10,13-14,19H,8-9,11-12,15-16H2,(H,27,30)(H,28,31)
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| InChIKey |
HNDWQWBBDFRSMS-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