General Information of the Compound
| Compound ID |
CP0533807
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| Compound Name |
[(1S,2R,4S,5S,6S,7R,8S,9R,12R)-4,5,8-triacetyloxy-7-benzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] pyridine-3-carboxylate
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| Structure |
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| Formula |
C34H39NO11
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| Molecular Weight |
637.682
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| Canonical SMILES |
C[C@@H]1C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4cccnc4)[C@]12OC3(C)C
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| InChI |
InChI=1S/C34H39NO11/c1-18-16-24(41-19(2)36)27(43-21(4)38)33(7)29(45-30(39)22-12-9-8-10-13-22)26(42-20(3)37)25-28(34(18,33)46-32(25,5)6)44-31(40)23-14-11-15-35-17-23/h8-15,17-18,24-29H,16H2,1-7H3/t18-,24+,25-,26+,27-,28-,29+,33+,34-/m1/s1
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| InChIKey |
GDRBFJBZPOXYEE-CUQROXPWSA-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