General Information of the Compound
| Compound ID |
CP0555754
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| Compound Name |
CHEMBL4870497
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| Formula |
C26H29N3O6
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| Molecular Weight |
479.533
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| Canonical SMILES |
CCOCc1nc(=O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)n1-c1c(OC)cccc1OC
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| InChI |
InChI=1S/C26H29N3O6/c1-4-35-16-21-27-24(30)22(25(31)28-14-13-18(15-28)17-9-6-5-7-10-17)26(32)29(21)23-19(33-2)11-8-12-20(23)34-3/h5-12,18,32H,4,13-16H2,1-3H3/t18-/m0/s1
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| InChIKey |
KKVOZQKVYSKADL-SFHVURJKSA-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
Protein ID: PT05078, Apelin receptor
Protein ID: PT06297, Apelin receptor