General Information of the Compound
| Compound ID |
CP0389804
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| Compound Name |
methyl 3-[(E)-2-[6,7-dimethoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-2-yl]ethenyl]benzoate
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| Structure |
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| Formula |
C27H33N5O6S
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| Molecular Weight |
555.657
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| Canonical SMILES |
COC(=O)c1cccc(\C=C\c2nc(N3CCC(CCNS(N)(=O)=O)CC3)c3cc(OC)c(OC)cc3n2)c1
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| InChI |
InChI=1S/C27H33N5O6S/c1-36-23-16-21-22(17-24(23)37-2)30-25(8-7-19-5-4-6-20(15-19)27(33)38-3)31-26(21)32-13-10-18(11-14-32)9-12-29-39(28,34)35/h4-8,15-18,29H,9-14H2,1-3H3,(H2,28,34,35)/b8-7+
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| InChIKey |
XYPIDCNPXHNDDT-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