General Information of the Compound
| Compound ID |
CP0284439
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| Compound Name |
4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-methyl-N-(2-morpholinoethyl)-1H-pyrrolo[3,2-d]pyridazine-2-carboxamide
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| Structure |
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| Formula |
C26H28ClN7O3
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| Molecular Weight |
522.009
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| Canonical SMILES |
Cc1c([nH]c2cnnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)NCCN1CCOCC1
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| InChI |
InChI=1S/C26H28ClN7O3/c1-17-23-21(32-24(17)26(35)29-8-9-34-10-12-36-13-11-34)15-30-33-25(23)31-18-5-6-22(20(27)14-18)37-16-19-4-2-3-7-28-19/h2-7,14-15,32H,8-13,16H2,1H3,(H,29,35)(H,31,33)
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| InChIKey |
JROJOBDTYUBCFO-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