General Information of the Compound
| Compound ID |
CP0404968
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| Compound Name |
2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-oxoquinazolin-3(4H)-yl)-N-(cyclopropylmethyl)acetamide
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| Structure |
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| Formula |
C27H31ClN4O4
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| Molecular Weight |
511.022
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| Canonical SMILES |
Clc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
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| InChI |
InChI=1S/C27H31ClN4O4/c28-21-4-1-3-20(15-21)26-30-24-8-7-22(36-12-2-9-31-10-13-35-14-11-31)16-23(24)27(34)32(26)18-25(33)29-17-19-5-6-19/h1,3-4,7-8,15-16,19H,2,5-6,9-14,17-18H2,(H,29,33)
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| InChIKey |
YKTYWHKSRXLXIJ-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