General Information of the Compound
| Compound ID |
CP0516788
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| Compound Name |
US9067871, 4
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| Structure |
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| Formula |
C23H26Cl2N4O3S
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| Molecular Weight |
509.459
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| Canonical SMILES |
Cn1cc(cn1)S(=O)(=O)NCCOc1ccc2CCC(N)C(Cc3ccc(Cl)c(Cl)c3)c2c1
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| InChI |
InChI=1S/C23H26Cl2N4O3S/c1-29-14-18(13-27-29)33(30,31)28-8-9-32-17-5-3-16-4-7-23(26)20(19(16)12-17)10-15-2-6-21(24)22(25)11-15/h2-3,5-6,11-14,20,23,28H,4,7-10,26H2,1H3
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| InChIKey |
IKIWDLYEKXJCER-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