General Information of the Compound
| Compound ID |
CP0448570
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| Compound Name |
(18Z)-12-methoxy-3,5,5-trimethyl-18-[(3-{[(2,2,2-trifluoroethyl)amino]methyl}thiophen-2-yl)methylidene]-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 |
C28H27F3N2O3S
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| Molecular Weight |
528.596
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| Canonical SMILES |
COc1c(O)ccc2O\C(=C/c3sccc3CNCC(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
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| InChI |
InChI=1S/C28H27F3N2O3S/c1-15-12-27(2,3)33-18-6-5-17-24(23(15)18)21(36-20-8-7-19(34)26(35-4)25(17)20)11-22-16(9-10-37-22)13-32-14-28(29,30)31/h5-12,32-34H,13-14H2,1-4H3/b21-11-
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| InChIKey |
OZWRZVFUZNYXMF-NHDPSOOVSA-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