General Information of the Compound
| Compound ID |
CP0477967
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| Compound Name |
4-(2-(2-(4-chlorophenethylamino)pyrimidin-4-ylamino)ethyl)benzenesulfonamide
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| Structure |
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| Formula |
C20H22ClN5O2S
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| Molecular Weight |
431.949
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| Canonical SMILES |
NS(=O)(=O)c1ccc(CCNc2ccnc(NCCc3ccc(Cl)cc3)n2)cc1
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| InChI |
InChI=1S/C20H22ClN5O2S/c21-17-5-1-15(2-6-17)10-13-24-20-25-14-11-19(26-20)23-12-9-16-3-7-18(8-4-16)29(22,27)28/h1-8,11,14H,9-10,12-13H2,(H2,22,27,28)(H2,23,24,25,26)
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| InChIKey |
UBWIYHMTQBCTLZ-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