General Information of the Compound
| Compound ID |
CP0507496
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| Compound Name |
N-[6-[3-(dimethylamino)phenoxy]-3-[2-(4-fluoropiperidin-1-yl)-2-oxoethyl]-4-oxoquinazolin-7-yl]-2-[[4-(trifluoromethyl)phenyl]methoxy]acetamide
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| Formula |
C33H33F4N5O5
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| Molecular Weight |
655.649
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| Canonical SMILES |
CN(C)c1cccc(Oc2cc3c(cc2NC(=O)COCc2ccc(cc2)C(F)(F)F)ncn(CC(=O)N2CCC(F)CC2)c3=O)c1
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| InChI |
InChI=1S/C33H33F4N5O5/c1-40(2)24-4-3-5-25(14-24)47-29-15-26-27(38-20-42(32(26)45)17-31(44)41-12-10-23(34)11-13-41)16-28(29)39-30(43)19-46-18-21-6-8-22(9-7-21)33(35,36)37/h3-9,14-16,20,23H,10-13,17-19H2,1-2H3,(H,39,43)
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| InChIKey |
BCUWSFGSHPDVGA-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: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2