General Information of the Compound
| Compound ID |
CP0518848
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| Compound Name |
US9067871, 48
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| Structure |
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| Formula |
C23H27ClN4O3S
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| Molecular Weight |
475.014
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CCC(N)C(Cc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C23H27ClN4O3S/c1-28-14-23(26-15-28)32(29,30)27-9-10-31-19-7-5-17-6-8-22(25)21(20(17)13-19)12-16-3-2-4-18(24)11-16/h2-5,7,11,13-15,21-22,27H,6,8-10,12,25H2,1H3
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| InChIKey |
YSXFBOGHEAWZKG-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