General Information of the Compound
| Compound ID |
CP0226749
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| Compound Name |
4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-3-methyl-N-(2-(4-methylpiperazin-1-yl)ethyl)-1H-pyrrolo[3,2-d]pyridazine-2-carboxamide
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| Structure |
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| Formula |
C28H31ClFN7O2
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| Molecular Weight |
552.054
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| Canonical SMILES |
CN1CCN(CCNC(=O)c2[nH]c3cnnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C)CC1
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| InChI |
InChI=1S/C28H31ClFN7O2/c1-18-25-23(34-26(18)28(38)31-8-9-37-12-10-36(2)11-13-37)16-32-35-27(25)33-21-6-7-24(22(29)15-21)39-17-19-4-3-5-20(30)14-19/h3-7,14-16,34H,8-13,17H2,1-2H3,(H,31,38)(H,33,35)
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| InChIKey |
QXWHKOZXCRDBND-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