General Information of the Compound
| Compound ID |
CP0502831
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| Compound Name |
4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid thiophen-3-ylamide
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| Structure |
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| Formula |
C25H32N6O2S2
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| Molecular Weight |
512.705
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)Nc1ccsc1
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| InChI |
InChI=1S/C25H32N6O2S2/c1-32-22-15-20-21(16-23(22)33-13-12-29-6-3-2-4-7-29)26-18-27-24(20)30-8-10-31(11-9-30)25(34)28-19-5-14-35-17-19/h5,14-18H,2-4,6-13H2,1H3,(H,28,34)
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| InChIKey |
XYJRXGZCCYTGOF-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