General Information of the Compound
| Compound ID |
CP0455534
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| Compound Name |
(1R,4S,5R,8S,9S,12R)-N-(4-chloro-3-pyridin-2-ylphenyl)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecane-9-carboxamide
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| Structure |
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| Formula |
C26H29ClN2O5
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| Molecular Weight |
484.98
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| Canonical SMILES |
C[C@@H]1CC[C@H]2[C@](C)(OC3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1
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| InChI |
InChI=1S/C26H29ClN2O5/c1-15-7-10-21-25(3,32-23-26(21)18(15)11-12-24(2,31-23)33-34-26)22(30)29-16-8-9-19(27)17(14-16)20-6-4-5-13-28-20/h4-6,8-9,13-15,18,21,23H,7,10-12H2,1-3H3,(H,29,30)/t15-,18+,21+,23?,24-,25+,26-/m1/s1
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| InChIKey |
YMVFMEJSPJLVTH-VGBVCGLRSA-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