General Information of the Compound
| Compound ID |
CP0176118
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| Compound Name |
19-(3-methoxyphenyl)-1,14,16,22-tetrazatricyclo[13.5.2.018,21]docosa-15,17,19,21-tetraen-6-ol
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| Structure |
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| Formula |
C25H34N4O2
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| Molecular Weight |
422.573
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| Canonical SMILES |
COc1cccc(c1)-c1cn2CCCCC(O)CCCCCCCNc3ncc1c2n3
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| InChI |
InChI=1S/C25H34N4O2/c1-31-21-13-9-10-19(16-21)23-18-29-15-8-6-12-20(30)11-5-3-2-4-7-14-26-25-27-17-22(23)24(29)28-25/h9-10,13,16-18,20,30H,2-8,11-12,14-15H2,1H3,(H,26,27,28)
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| InChIKey |
LZPFBEBTZBKKFB-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