General Information of the Compound
| Compound ID |
CP0121920
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| Compound Name |
4-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinazoline-2,4-diamine
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| Structure |
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| Formula |
C32H39N9O3
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| Molecular Weight |
597.724
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc2c(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)nc(NCc3cc(C)no3)nc2c1
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| InChI |
InChI=1S/C32H39N9O3/c1-5-40-10-12-41(13-11-40)24-8-9-28-29(18-24)34-32(33-20-27-14-21(2)39-44-27)36-31(28)35-30-17-23(37-38-30)7-6-22-15-25(42-3)19-26(16-22)43-4/h8-9,14-19H,5-7,10-13,20H2,1-4H3,(H3,33,34,35,36,37,38)
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| InChIKey |
FQWFCEMZVYHRRW-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