General Information of the Compound
| Compound ID |
CP0546460
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| Compound Name |
[(Z,7R)-18-[3-[(4-hydroxy-3-methoxyphenyl)methylamino]-3-oxopropyl]selanyloctadec-9-en-7-yl] 2-phenylacetate
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| Structure |
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| Formula |
C37H55NO5Se
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| Molecular Weight |
672.809
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| Canonical SMILES |
CCCCCC[C@H](C\C=C/CCCCCCCC[Se]CCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
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| InChI |
InChI=1S/C37H55NO5Se/c1-3-4-5-16-21-33(43-37(41)29-31-19-14-13-15-20-31)22-17-11-9-7-6-8-10-12-18-26-44-27-25-36(40)38-30-32-23-24-34(39)35(28-32)42-2/h11,13-15,17,19-20,23-24,28,33,39H,3-10,12,16,18,21-22,25-27,29-30H2,1-2H3,(H,38,40)/b17-11-/t33-/m1/s1
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| InChIKey |
UPGMZQZKUFOBIP-VGZWYPQQSA-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