General Information of the Compound
| Compound ID |
CP0886161
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| Compound Name |
(S)-2-(4-((5-methyl-1-propyl-1H-pyrazol-4-yl)methyl)-1-(3-phenylpropyl)piperazin-2-yl)ethanol
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| Structure |
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| Formula |
C23H36N4O
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| Molecular Weight |
384.568
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| Canonical SMILES |
CCCn1ncc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1C
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| InChI |
InChI=1S/C23H36N4O/c1-3-12-27-20(2)22(17-24-27)18-25-14-15-26(23(19-25)11-16-28)13-7-10-21-8-5-4-6-9-21/h4-6,8-9,17,23,28H,3,7,10-16,18-19H2,1-2H3/t23-/m0/s1
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| InChIKey |
CRTNSWILELHMDV-QHCPKHFHSA-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