General Information of the Compound
| Compound ID |
CP0514082
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| Compound Name |
5-(8-Hydroxy-7-piperidin-1-ylmethyl-isoquinolin-5-ylmethyl)-7-piperidin-1-ylmethyl-quinolin-8-ol
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| Synonyms |
PD-29361
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| Structure |
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| Formula |
C31H36N4O2
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| Molecular Weight |
496.655
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| Canonical SMILES |
Oc1c(CN2CCCCC2)cc(Cc2cc(CN3CCCCC3)c(O)c3ncccc23)c2ccncc12
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| InChI |
InChI=1S/C31H36N4O2/c36-30-24(20-34-12-3-1-4-13-34)17-22(26-9-11-32-19-28(26)30)16-23-18-25(21-35-14-5-2-6-15-35)31(37)29-27(23)8-7-10-33-29/h7-11,17-19,36-37H,1-6,12-16,20-21H2
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| InChIKey |
WJEZXIYONPULSN-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
Clinical Information about the Compound