General Information of the Compound
| Compound ID |
CP0485476
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| Compound Name |
4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid 4-pyridin-2-yl-benzylamide
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| Structure |
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| Formula |
C33H39N7O2S
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| Molecular Weight |
597.789
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(cc1)-c1ccccn1
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| InChI |
InChI=1S/C33H39N7O2S/c1-41-30-21-27-29(22-31(30)42-20-19-38-13-5-2-6-14-38)36-24-37-32(27)39-15-17-40(18-16-39)33(43)35-23-25-8-10-26(11-9-25)28-7-3-4-12-34-28/h3-4,7-12,21-22,24H,2,5-6,13-20,23H2,1H3,(H,35,43)
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| InChIKey |
MTAIUFVQPDGDHY-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