General Information of the Compound
| Compound ID |
CP0564450
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| Compound Name |
US9434711, 726
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| Structure |
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| Formula |
C21H21N3O2S2
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| Molecular Weight |
411.552
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCC1CC1)S(=O)(=O)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C21H21N3O2S2/c1-14-16-6-2-5-9-19(16)27-20(14)24(13-12-15-10-11-15)28(25,26)21-22-17-7-3-4-8-18(17)23-21/h2-9,15H,10-13H2,1H3,(H,22,23)
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| InChIKey |
SKJBHWCMQZITNB-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