General Information of the Compound
| Compound ID |
CP0463181
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| Compound Name |
(18Z)-18-{[3-(1-hydroxypentyl)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 |
C30H33NO4S
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| Molecular Weight |
503.664
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| Canonical SMILES |
CCCCC(O)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
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| InChI |
InChI=1S/C30H33NO4S/c1-6-7-8-21(32)18-13-14-36-25(18)15-24-27-19(28-23(35-24)12-11-22(33)29(28)34-5)9-10-20-26(27)17(2)16-30(3,4)31-20/h9-16,21,31-33H,6-8H2,1-5H3/b24-15-
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| InChIKey |
CMCZKWJUYJOKFX-IWIPYMOSSA-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