General Information of the Compound
| Compound ID |
CP0274557
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| Compound Name |
(S)-5-[4-(2-Azepan-1-yl-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 |
C31H32FNO4
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| Molecular Weight |
501.598
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| Canonical SMILES |
Oc1ccc2C3=C(CCOc2c1)c1ccc(F)cc1O[C@H]3c1ccc(OCCN2CCCCCC2)cc1
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| InChI |
InChI=1S/C31H32FNO4/c32-22-7-11-25-26-13-17-36-28-20-23(34)8-12-27(28)30(26)31(37-29(25)19-22)21-5-9-24(10-6-21)35-18-16-33-14-3-1-2-4-15-33/h5-12,19-20,31,34H,1-4,13-18H2/t31-/m0/s1
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| InChIKey |
KLRGEDJTDSUZSF-HKBQPEDESA-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