General Information of the Compound
| Compound ID |
CP0133097
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| Compound Name |
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine
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| Structure |
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| Formula |
C30H39N7O2
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| Molecular Weight |
529.689
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| Canonical SMILES |
CCCc1nc(Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)c2ccc(cc2n1)N1CCN(CC)CC1
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| InChI |
InChI=1S/C30H39N7O2/c1-5-7-28-31-27-19-23(37-14-12-36(6-2)13-15-37)10-11-26(27)30(32-28)33-29-18-22(34-35-29)9-8-21-16-24(38-3)20-25(17-21)39-4/h10-11,16-20H,5-9,12-15H2,1-4H3,(H2,31,32,33,34,35)
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| InChIKey |
ZUJFWAZLOHHIFQ-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