General Information of the Compound
| Compound ID |
CP0501579
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| Compound Name |
2-(6-(3-(azetidin-1-ylmethyl)phenyl)-2-(3-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
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| Structure |
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| Formula |
C30H32N4O3
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| Molecular Weight |
496.611
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| Canonical SMILES |
COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cccc(CN2CCC2)c1
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| InChI |
InChI=1S/C30H32N4O3/c1-20(2)31-28(35)19-34-29(24-9-5-10-25(16-24)37-3)32-27-12-11-23(17-26(27)30(34)36)22-8-4-7-21(15-22)18-33-13-6-14-33/h4-5,7-12,15-17,20H,6,13-14,18-19H2,1-3H3,(H,31,35)
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| InChIKey |
PAYCKCQHJYINLM-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