General Information of the Compound
| Compound ID |
CP0165902
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| Compound Name |
5R-(+)-[4-(2-diisopropylaminoethoxy)phenyl]-11,12-dihydro-5H-6,13-dioxabenzo[3,4]cyclohepta[1,2-a]naphthalene-2,8-diol
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| Structure |
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| Formula |
C31H35NO5
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| Molecular Weight |
501.623
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| Canonical SMILES |
CC(C)N(CCOc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2)C(C)C
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| InChI |
InChI=1S/C31H35NO5/c1-19(2)32(20(3)4)14-16-35-24-9-5-21(6-10-24)31-30-26(25-11-7-23(34)18-29(25)37-31)13-15-36-28-17-22(33)8-12-27(28)30/h5-12,17-20,31,33-34H,13-16H2,1-4H3/t31-/m1/s1
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| InChIKey |
IBWJCHNKSFDWMJ-WJOKGBTCSA-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