General Information of the Compound
| Compound ID |
CP0545978
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| Compound Name |
6,7-dimethoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
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| Structure |
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| Formula |
C26H33N5O5S
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| Molecular Weight |
527.647
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| Canonical SMILES |
COc1cccc(\C=C\c2nc(N3CCC(CCNS(N)(=O)=O)CC3)c3cc(OC)c(OC)cc3n2)c1
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| InChI |
InChI=1S/C26H33N5O5S/c1-34-20-6-4-5-19(15-20)7-8-25-29-22-17-24(36-3)23(35-2)16-21(22)26(30-25)31-13-10-18(11-14-31)9-12-28-37(27,32)33/h4-8,15-18,28H,9-14H2,1-3H3,(H2,27,32,33)/b8-7+
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| InChIKey |
HBAFIQZSUGLPGN-BQYQJAHWSA-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