General Information of the Compound
| Compound ID |
CP0544903
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| Compound Name |
3-(2-Methyl-5,6,7,8-tetrahydro-quinolin-4-yloxymethyl)-11-(1H-tetrazol-5-yl)-dibenzo[a,d]cyclohepten-5-one
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| Structure |
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| Formula |
C27H23N5O2
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| Molecular Weight |
449.514
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| Canonical SMILES |
Cc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2CCCCc2n1
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| InChI |
InChI=1S/C27H23N5O2/c1-16-12-25(21-8-4-5-9-24(21)28-16)34-15-17-10-11-20-22(13-17)26(33)19-7-3-2-6-18(19)14-23(20)27-29-31-32-30-27/h2-3,6-7,10-14H,4-5,8-9,15H2,1H3,(H,29,30,31,32)
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| InChIKey |
UKLUCJLTIYRIDN-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