General Information of the Compound
| Compound ID |
CP0090272
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| Compound Name |
3-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimidin-2-ylamino)benzamide
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| Structure |
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| Formula |
C18H14ClN5O3
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| Molecular Weight |
383.795
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| Canonical SMILES |
NC(=O)c1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
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| InChI |
InChI=1S/C18H14ClN5O3/c19-12-4-5-13-16(27-9-26-13)15(12)23-14-6-7-21-18(24-14)22-11-3-1-2-10(8-11)17(20)25/h1-8H,9H2,(H2,20,25)(H2,21,22,23,24)
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| InChIKey |
ZVQZIVCQLFGXFZ-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