General Information of the Compound
| Compound ID |
CP0411983
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| Compound Name |
US9233953, 143
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| Structure |
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| Formula |
C20H24N4O3S
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| Molecular Weight |
400.504
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| Canonical SMILES |
O=C(C1CCS(=O)(=O)CC1)N1CCN(CC1c1ccccc1)c1cnccn1
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| InChI |
InChI=1S/C20H24N4O3S/c25-20(17-6-12-28(26,27)13-7-17)24-11-10-23(19-14-21-8-9-22-19)15-18(24)16-4-2-1-3-5-16/h1-5,8-9,14,17-18H,6-7,10-13,15H2
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| InChIKey |
NPYYQSAFIHUVPT-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