General Information of the Compound
| Compound ID |
CP0386126
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| Compound Name |
(17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-16-yl) (E)-3-phenylprop-2-enoate
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| Structure |
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| Formula |
C28H25NO5
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| Molecular Weight |
455.51
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| Canonical SMILES |
COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(=O)\C=C\c1ccccc1
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| InChI |
InChI=1S/C28H25NO5/c1-31-24-9-8-19-13-23-21-15-26-25(32-17-33-26)14-20(21)11-12-29(23)16-22(19)28(24)34-27(30)10-7-18-5-3-2-4-6-18/h2-10,14-15,23H,11-13,16-17H2,1H3/b10-7+
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| InChIKey |
UDPSOFMTFTZGDS-JXMROGBWSA-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