General Information of the Compound
| Compound ID |
CP0560639
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| Compound Name |
US8618114, 1.2.22(4).HCl
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| Structure |
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| Formula |
C18H23N5O2S
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| Molecular Weight |
373.482
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| Canonical SMILES |
CNc1nn2c(C)c(CCCN)c(C)nc2c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C18H23N5O2S/c1-12-15(10-7-11-19)13(2)23-18(21-12)16(17(20-3)22-23)26(24,25)14-8-5-4-6-9-14/h4-6,8-9H,7,10-11,19H2,1-3H3,(H,20,22)
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| InChIKey |
GCSQOYDPBNGTJV-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