General Information of the Compound
| Compound ID |
CP0464580
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| Compound Name |
3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-phenoxy-1,2,3-benzotriazin-4-one
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| Structure |
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| Formula |
C26H26N4O4
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| Molecular Weight |
458.518
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)-n1nnc2cc(Oc3ccccc3)ccc2c1=O
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| InChI |
InChI=1S/C26H26N4O4/c1-32-25-17-19(9-12-24(25)33-16-15-29-13-5-6-14-29)30-26(31)22-11-10-21(18-23(22)27-28-30)34-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3
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| InChIKey |
YOMBUIQLNXVAJU-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