General Information of the Compound
| Compound ID |
CP0852132
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| Compound Name |
(3R,6R,7S,8E,10S,11S,12E,14E,16S,18R,19R,20R,21S)-7-(N-[G-3H]-ethylcarbamoyloxy)-3,6,21-trihydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-triene-11-olide
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| Structure |
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| Formula |
C31H53NO8
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| Molecular Weight |
567.764
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| Canonical SMILES |
CCNC(=O)O[C@H]1CC[C@H](C)[C@@H](/C(C)=C/C=C/[C@@H](C)C[C@H]2O[C@@H]2[C@H](C)[C@@H](O)CC)OC(=O)C[C@H](O)CC[C@@]1(C)O
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| InChI |
InChI=1S/C31H53NO8/c1-8-24(34)22(6)29-25(38-29)17-19(3)11-10-12-20(4)28-21(5)13-14-26(39-30(36)32-9-2)31(7,37)16-15-23(33)18-27(35)40-28/h10-12,19,21-26,28-29,33-34,37H,8-9,13-18H2,1-7H3,(H,32,36)/b11-10+,20-12+/t19-,21+,22-,23-,24+,25-,26+,28-,29-,31-/m1/s1
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| InChIKey |
CZBSTJJIOXFNLS-GMTUZNRTSA-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