General Information of the Compound
| Compound ID |
CP0547500
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| Compound Name |
CHEMBL4202826
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| Formula |
C23H35NO3
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| Molecular Weight |
373.537
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| Canonical SMILES |
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@]3(CCCO3)CC2)cc1
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| InChI |
InChI=1S/C23H35NO3/c1-24(2)22(25)20-8-10-21(11-9-20)26-17-5-3-4-7-19-12-15-23(16-13-19)14-6-18-27-23/h8-11,19H,3-7,12-18H2,1-2H3/t19-,23+
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| InChIKey |
SZKMWNPVSYCSDL-OKDJAKQTSA-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