General Information of the Compound
| Compound ID |
CP0509435
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| Compound Name |
4-[6-Methoxy-7-(2-pyrrolidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (furan-2-ylmethyl)-amide
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| Structure |
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| Formula |
C25H32N6O3S
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| Molecular Weight |
496.637
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCCC1)N1CCN(CC1)C(=S)NCc1ccco1
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| InChI |
InChI=1S/C25H32N6O3S/c1-32-22-15-20-21(16-23(22)34-14-12-29-6-2-3-7-29)27-18-28-24(20)30-8-10-31(11-9-30)25(35)26-17-19-5-4-13-33-19/h4-5,13,15-16,18H,2-3,6-12,14,17H2,1H3,(H,26,35)
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| InChIKey |
QDNGKAIMLVVUPN-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