General Information of the Compound
| Compound ID |
CP0271992
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| Compound Name |
(R)-5-[4-(2-Diethylamino-ethoxy)-phenyl]-8-fluoro-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalen-2-ol
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| Structure |
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| Formula |
C29H30FNO4
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| Molecular Weight |
475.56
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| Canonical SMILES |
CCN(CC)CCOc1ccc(cc1)[C@H]1Oc2cc(F)ccc2C2=C1c1ccc(O)cc1OCC2
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| InChI |
InChI=1S/C29H30FNO4/c1-3-31(4-2)14-16-33-22-9-5-19(6-10-22)29-28-24(23-11-7-20(30)17-27(23)35-29)13-15-34-26-18-21(32)8-12-25(26)28/h5-12,17-18,29,32H,3-4,13-16H2,1-2H3/t29-/m1/s1
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| InChIKey |
FEVNXNWGPTZNEC-GDLZYMKVSA-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