General Information of the Compound
| Compound ID |
CP0384158
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| Compound Name |
3-(2-Ethyl-quinolin-4-yloxymethyl)-11-(1H-tetrazol-5-yl)-dibenzo[a,d]cyclohepten-5-one
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| Structure |
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| Formula |
C28H21N5O2
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| Molecular Weight |
459.509
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| Canonical SMILES |
CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2ccccc2n1
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| InChI |
InChI=1S/C28H21N5O2/c1-2-19-15-26(22-9-5-6-10-25(22)29-19)35-16-17-11-12-21-23(13-17)27(34)20-8-4-3-7-18(20)14-24(21)28-30-32-33-31-28/h3-15H,2,16H2,1H3,(H,30,31,32,33)
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| InChIKey |
GDFGNZJGLCDDQX-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