General Information of the Compound
| Compound ID |
CP0206903
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| Compound Name |
3-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimidin-2-ylamino)-5-(methylsulfonyl)benzamide
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| Structure |
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| Formula |
C19H16ClN5O5S
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| Molecular Weight |
461.887
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| Canonical SMILES |
CS(=O)(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)C(N)=O
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| InChI |
InChI=1S/C19H16ClN5O5S/c1-31(27,28)12-7-10(18(21)26)6-11(8-12)23-19-22-5-4-15(25-19)24-16-13(20)2-3-14-17(16)30-9-29-14/h2-8H,9H2,1H3,(H2,21,26)(H2,22,23,24,25)
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| InChIKey |
ISZCBHHDHSQMRQ-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