General Information of the Compound
| Compound ID |
CP0482175
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| Compound Name |
US10188627, Comparator Cmpd. 2
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| Structure |
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| Formula |
C27H29NO5
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| Molecular Weight |
447.531
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| Canonical SMILES |
OC(=O)CCCCCOc1ccccc1CN(C1CC1)C(=O)c1ccc(cc1)-c1ccco1
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| InChI |
InChI=1S/C27H29NO5/c29-26(30)10-2-1-5-17-32-25-8-4-3-7-22(25)19-28(23-15-16-23)27(31)21-13-11-20(12-14-21)24-9-6-18-33-24/h3-4,6-9,11-14,18,23H,1-2,5,10,15-17,19H2,(H,29,30)
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| InChIKey |
CQKNIDGIDMCYLZ-UHFFFAOYSA-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