General Information of the Compound
| Compound ID |
CP0568237
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| Compound Name |
US9233953, 92
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| Structure |
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| Formula |
C19H23ClN4O3S2
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| Molecular Weight |
455.005
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| Canonical SMILES |
Cc1cnc(nc1)N1CCN(C(C1)c1ccc(Cl)s1)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C19H23ClN4O3S2/c1-13-10-21-19(22-11-13)23-6-7-24(15(12-23)16-2-3-17(20)28-16)18(25)14-4-8-29(26,27)9-5-14/h2-3,10-11,14-15H,4-9,12H2,1H3
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| InChIKey |
RXASDFUGBZXNQV-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