General Information of the Compound
| Compound ID |
CP0445850
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| Compound Name |
4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (2-cyano-pyridin-4-yl)-amide
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| Structure |
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| Formula |
C27H32N8O2S
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| Molecular Weight |
532.674
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)Nc1ccnc(c1)C#N
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| InChI |
InChI=1S/C27H32N8O2S/c1-36-24-16-22-23(17-25(24)37-14-13-33-7-3-2-4-8-33)30-19-31-26(22)34-9-11-35(12-10-34)27(38)32-20-5-6-29-21(15-20)18-28/h5-6,15-17,19H,2-4,7-14H2,1H3,(H,29,32,38)
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| InChIKey |
NUFJHZIFGOWTIC-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