General Information of the Compound
| Compound ID |
CP0378512
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| Compound Name |
(18Z)-18-({3-[(2-hydroxyethoxy)methyl]thiophen-2-yl}methylidene)-12-methoxy-3,5,5-trimethyl-17-oxa-6-azatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1(10),2(7),3,8,11,13,15-heptaen-13-ol
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| Structure |
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| Formula |
C28H29NO5S
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| Molecular Weight |
491.609
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| Canonical SMILES |
COc1c(O)ccc2O\C(=C/c3sccc3COCCO)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
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| InChI |
InChI=1S/C28H29NO5S/c1-16-14-28(2,3)29-19-6-5-18-25(24(16)19)22(13-23-17(9-12-35-23)15-33-11-10-30)34-21-8-7-20(31)27(32-4)26(18)21/h5-9,12-14,29-31H,10-11,15H2,1-4H3/b22-13-
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| InChIKey |
CZFMLDUNXATLOW-XKZIYDEJSA-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