General Information of the Compound
Compound ID |
CP0495108
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Compound Name |
4-[6-Methoxy-7-(3-piperidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (6-methyl-pyridin-3-ylmethyl)-amide
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Structure |
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Formula |
C29H39N7O2S
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Molecular Weight |
549.745
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Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(C)nc1
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InChI |
InChI=1S/C29H39N7O2S/c1-22-7-8-23(19-30-22)20-31-29(39)36-14-12-35(13-15-36)28-24-17-26(37-2)27(18-25(24)32-21-33-28)38-16-6-11-34-9-4-3-5-10-34/h7-8,17-19,21H,3-6,9-16,20H2,1-2H3,(H,31,39)
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InChIKey |
BGFKWWVJYJAFCM-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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