General Information of the Compound
| Compound ID |
CP0372202
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| Compound Name |
methyl 2-[2-[methyl(5-pyrrolidin-1-ylpentyl)amino]-3-phenyl-4H-quinazolin-4-yl]acetate
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| Structure |
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| Formula |
C27H36N4O2
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| Molecular Weight |
448.611
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| Canonical SMILES |
COC(=O)CC1N(C(=Nc2ccccc12)N(C)CCCCCN1CCCC1)c1ccccc1
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| InChI |
InChI=1S/C27H36N4O2/c1-29(17-9-4-10-18-30-19-11-12-20-30)27-28-24-16-8-7-15-23(24)25(21-26(32)33-2)31(27)22-13-5-3-6-14-22/h3,5-8,13-16,25H,4,9-12,17-21H2,1-2H3
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| InChIKey |
XJHWSJMWAMLTTJ-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