General Information of the Compound
| Compound ID |
CP0930304
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| Compound Name |
[(1E)-[2-({[4-[(3,4-dichlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}methyl)morpholin-4-yl](4-methylpiperazin-1-yl)methylidene]cyanamide
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| Formula |
C27H30Cl2N8O3
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| Molecular Weight |
585.496
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(/C(=N/C#N)N2CCN(C)CC2)CCO1
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| InChI |
InChI=1S/C27H30Cl2N8O3/c1-35-5-7-36(8-6-35)27(31-16-30)37-9-10-39-19(14-37)15-40-25-13-23-20(12-24(25)38-2)26(33-17-32-23)34-18-3-4-21(28)22(29)11-18/h3-4,11-13,17,19H,5-10,14-15H2,1-2H3,(H,32,33,34)/b31-27+
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| InChIKey |
AXRKPFNJHMZYJN-TVKQRKNISA-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