General Information of the Compound
| Compound ID |
CP0434988
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| Compound Name |
[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone
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| Structure |
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| Formula |
C29H37FN6O3
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| Molecular Weight |
536.652
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| Canonical SMILES |
COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H37FN6O3/c1-33(2)29-31-24-20-26(39-18-6-13-34-11-4-5-12-34)25(38-3)19-23(24)27(32-29)35-14-16-36(17-15-35)28(37)21-7-9-22(30)10-8-21/h7-10,19-20H,4-6,11-18H2,1-3H3
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| InChIKey |
KMBMDHORRSKUGE-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: PT02160, Toll-like receptor 7
Protein ID: PT01922, Toll-like receptor 9