General Information of the Compound
| Compound ID |
CP0913653
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| Compound Name |
trans-2-methoxy-7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
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| Structure |
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| Formula |
C21H27NO2
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| Molecular Weight |
325.452
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| Canonical SMILES |
COc1ccc2c(c1)CC[C@H](NCCCc1ccccc1)C[C@H]2O
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| InChI |
InChI=1S/C21H27NO2/c1-24-19-11-12-20-17(14-19)9-10-18(15-21(20)23)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14,18,21-23H,5,8-10,13,15H2,1H3/t18-,21+/m0/s1
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| InChIKey |
UVSBTRVDVBPUOS-GHTZIAJQSA-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