General Information of the Compound
| Compound ID |
CP0435399
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| Compound Name |
4-[6-Methoxy-7-(3-piperidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid pyridin-4-ylamide
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| Structure |
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| Formula |
C27H35N7O2S
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| Molecular Weight |
521.691
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=S)Nc1ccncc1
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| InChI |
InChI=1S/C27H35N7O2S/c1-35-24-18-22-23(19-25(24)36-17-5-12-32-10-3-2-4-11-32)29-20-30-26(22)33-13-15-34(16-14-33)27(37)31-21-6-8-28-9-7-21/h6-9,18-20H,2-5,10-17H2,1H3,(H,28,31,37)
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| InChIKey |
QLHXHYVKFSCNHC-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