General Information of the Compound
| Compound ID |
CP0523452
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| Compound Name |
2-[(E)-2-(4-fluorophenyl)ethenyl]-6,7-dimethoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
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| Structure |
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| Formula |
C25H30FN5O4S
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| Molecular Weight |
515.611
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| Canonical SMILES |
COc1cc2nc(\C=C\c3ccc(F)cc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC
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| InChI |
InChI=1S/C25H30FN5O4S/c1-34-22-15-20-21(16-23(22)35-2)29-24(8-5-17-3-6-19(26)7-4-17)30-25(20)31-13-10-18(11-14-31)9-12-28-36(27,32)33/h3-8,15-16,18,28H,9-14H2,1-2H3,(H2,27,32,33)/b8-5+
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| InChIKey |
PWFVPSFIXGCFDD-VMPITWQZSA-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