General Information of the Compound
| Compound ID |
CP0443813
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| Compound Name |
US9169224, 159
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| Structure |
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| Formula |
C16H18N4O3S
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| Molecular Weight |
346.412
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| Canonical SMILES |
O=C(Nc1nccs1)N1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C16H18N4O3S/c21-16(18-15-17-3-8-24-15)20-6-4-19(5-7-20)10-12-1-2-13-14(9-12)23-11-22-13/h1-3,8-9H,4-7,10-11H2,(H,17,18,21)
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| InChIKey |
JTXSWVAXQKRDSW-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