General Information of the Compound
| Compound ID |
CP0515493
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| Compound Name |
US9346798, 59
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| Structure |
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| Formula |
C21H23N5O3S2
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| Molecular Weight |
457.581
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| Canonical SMILES |
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccccc1N1CCNCC1
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| InChI |
InChI=1S/C21H23N5O3S2/c27-31(28,24-21-23-9-14-30-21)16-5-6-19-20(15-16)29-13-12-26(19)18-4-2-1-3-17(18)25-10-7-22-8-11-25/h1-6,9,14-15,22H,7-8,10-13H2,(H,23,24)
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| InChIKey |
DTSNBUNQRWNESH-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
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha