General Information of the Compound
| Compound ID |
CP0380972
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| Compound Name |
4-{6-Methoxy-7-[3-(2-methyl-piperidin-1-yl)-propoxy]-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C32H44N6O4
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| Molecular Weight |
576.742
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1C)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C32H44N6O4/c1-23(2)42-26-11-9-25(10-12-26)35-32(39)38-17-15-37(16-18-38)31-27-20-29(40-4)30(21-28(27)33-22-34-31)41-19-7-14-36-13-6-5-8-24(36)3/h9-12,20-24H,5-8,13-19H2,1-4H3,(H,35,39)
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| InChIKey |
VCRKDNXOGDJUAN-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: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3