General Information of the Compound
| Compound ID |
CP0317079
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| Compound Name |
5R-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydro-5H-6,13-dioxabenzo[3,4]cyclohepta[1,2-a]naphthalen-2-ol
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| Structure |
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| Formula |
C30H31NO4
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| Molecular Weight |
469.581
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| Canonical SMILES |
Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C30H31NO4/c32-22-10-13-26-28(20-22)34-18-14-25-24-6-2-3-7-27(24)35-30(29(25)26)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/m1/s1
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| InChIKey |
UHHJAEWQYDXZDY-SSEXGKCCSA-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