General Information of the Compound
| Compound ID |
CP0565380
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| Compound Name |
6,7-dimethoxy-2-[2-[4-(4-phenyltriazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline
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| Formula |
C27H28N4O2
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| Molecular Weight |
440.547
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3cc(nn3)-c3ccccc3)Cc2cc1OC
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| InChI |
InChI=1S/C27H28N4O2/c1-32-26-16-22-13-15-30(18-23(22)17-27(26)33-2)14-12-20-8-10-24(11-9-20)31-19-25(28-29-31)21-6-4-3-5-7-21/h3-11,16-17,19H,12-15,18H2,1-2H3
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| InChIKey |
ZRMZGFQTDQNKQV-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