General Information of the Compound
| Compound ID |
CP0965756
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| Compound Name |
4-(4-(morpholine-4-carbonyl)phenethylamino)quinazoline-6-carbonitrile
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| Structure |
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| Formula |
C22H21N5O2
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| Molecular Weight |
387.443
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| Canonical SMILES |
N#Cc1ccc2ncnc(NCCc3ccc(C(=O)N4CCOCC4)cc3)c2c1
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| InChI |
InChI=1S/C22H21N5O2/c23-14-17-3-6-20-19(13-17)21(26-15-25-20)24-8-7-16-1-4-18(5-2-16)22(28)27-9-11-29-12-10-27/h1-6,13,15H,7-12H2,(H,24,25,26)
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| InChIKey |
MYDFWKUATBSUQX-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