General Information of the Compound
| Compound ID |
CP0414925
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| Compound Name |
CHEMBL4213027
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| Formula |
C26H41NO3
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| Molecular Weight |
415.618
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| Canonical SMILES |
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@@]3(CC2)CC(C)(C)CCO3)cc1
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| InChI |
InChI=1S/C26H41NO3/c1-25(2)17-19-30-26(20-25)15-13-21(14-16-26)8-6-5-7-18-29-23-11-9-22(10-12-23)24(28)27(3)4/h9-12,21H,5-8,13-20H2,1-4H3/t21-,26+
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| InChIKey |
CMPKJKGUDNBYPM-PGCGBBBBSA-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