General Information of the Compound
| Compound ID |
CP0181778
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| Compound Name |
(S)-5-{3-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-phenyl}-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalene-2,8-diol
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| Structure |
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| Formula |
C30H32N2O5
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| Molecular Weight |
500.595
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| Canonical SMILES |
CN1CCN(CCOc2cccc(c2)[C@@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)CC1
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| InChI |
InChI=1S/C30H32N2O5/c1-31-10-12-32(13-11-31)14-16-35-23-4-2-3-20(17-23)30-29-25(24-7-5-22(34)19-28(24)37-30)9-15-36-27-18-21(33)6-8-26(27)29/h2-8,17-19,30,33-34H,9-16H2,1H3/t30-/m0/s1
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| InChIKey |
YOSGIAVXRSUEKW-PMERELPUSA-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