General Information of the Compound
| Compound ID |
CP0336576
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| Compound Name |
3-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimidin-2-ylamino)-5-morpholinobenzamide
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| Structure |
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| Formula |
C22H21ClN6O4
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| Molecular Weight |
468.901
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| Canonical SMILES |
NC(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)N1CCOCC1
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| InChI |
InChI=1S/C22H21ClN6O4/c23-16-1-2-17-20(33-12-32-17)19(16)27-18-3-4-25-22(28-18)26-14-9-13(21(24)30)10-15(11-14)29-5-7-31-8-6-29/h1-4,9-11H,5-8,12H2,(H2,24,30)(H2,25,26,27,28)
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| InChIKey |
IITDSYICYIVZSK-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