General Information of the Compound
| Compound ID |
CP0503542
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| Compound Name |
N-(cyclopropylmethyl)-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
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| Structure |
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| Formula |
C28H34N4O5
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| Molecular Weight |
506.603
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| Canonical SMILES |
COc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
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| InChI |
InChI=1S/C28H34N4O5/c1-35-22-5-2-4-21(16-22)27-30-25-9-8-23(37-13-3-10-31-11-14-36-15-12-31)17-24(25)28(34)32(27)19-26(33)29-18-20-6-7-20/h2,4-5,8-9,16-17,20H,3,6-7,10-15,18-19H2,1H3,(H,29,33)
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| InChIKey |
IVHDKTQWYKESAJ-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