General Information of the Compound
| Compound ID |
CP0451929
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| Compound Name |
US9067871, 19
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| Structure |
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| Formula |
C23H29Cl2N3O3S
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| Molecular Weight |
498.476
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| Canonical SMILES |
NC1CCc2ccc(OCCNS(=O)(=O)C3CCNC3)cc2C1Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C23H29Cl2N3O3S/c24-21-5-1-15(12-22(21)25)11-20-19-13-17(4-2-16(19)3-6-23(20)26)31-10-9-28-32(29,30)18-7-8-27-14-18/h1-2,4-5,12-13,18,20,23,27-28H,3,6-11,14,26H2
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| InChIKey |
FVELZXAKKQBPDW-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