General Information of the Compound
| Compound ID |
CP0528178
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| Compound Name |
19-[4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethoxy]phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaene-5,15-diol
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| Structure |
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| Formula |
C30H30FNO5
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| Molecular Weight |
503.57
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| Canonical SMILES |
Oc1ccc2C3=C(C(Oc2c1)c1ccc(OCCN2CC[C@@H](CF)C2)cc1)c1ccc(O)cc1OCC3
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| InChI |
InChI=1S/C30H30FNO5/c31-17-19-9-11-32(18-19)12-14-35-23-5-1-20(2-6-23)30-29-25(24-7-3-22(34)16-28(24)37-30)10-13-36-27-15-21(33)4-8-26(27)29/h1-8,15-16,19,30,33-34H,9-14,17-18H2/t19-,30?/m0/s1
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| InChIKey |
MIFNIZSFFCPEFE-QUZMYUOTSA-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