General Information of the Compound
| Compound ID |
CP0389840
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| Compound Name |
6,7-dimethoxy-2-[(E)-2-pyridin-2-ylethenyl]-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
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| Structure |
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| Formula |
C24H30N6O4S
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| Molecular Weight |
498.609
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| Canonical SMILES |
COc1cc2nc(\C=C\c3ccccn3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC
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| InChI |
InChI=1S/C24H30N6O4S/c1-33-21-15-19-20(16-22(21)34-2)28-23(7-6-18-5-3-4-11-26-18)29-24(19)30-13-9-17(10-14-30)8-12-27-35(25,31)32/h3-7,11,15-17,27H,8-10,12-14H2,1-2H3,(H2,25,31,32)/b7-6+
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| InChIKey |
CKAWWCVGVDBZJH-VOTSOKGWSA-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