General Information of the Compound
| Compound ID |
CP0435401
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| Compound Name |
4-[6-Methoxy-7-(3-piperidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (6-phenyl-pyridin-3-yl)-amide
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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(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=S)Nc1ccc(nc1)-c1ccccc1
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| InChI |
InChI=1S/C33H39N7O2S/c1-41-30-21-27-29(22-31(30)42-20-8-15-38-13-6-3-7-14-38)35-24-36-32(27)39-16-18-40(19-17-39)33(43)37-26-11-12-28(34-23-26)25-9-4-2-5-10-25/h2,4-5,9-12,21-24H,3,6-8,13-20H2,1H3,(H,37,43)
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| InChIKey |
GZOKZUCSSHDAKL-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
Protein ID: PT00844, Platelet-derived growth factor receptor beta