General Information of the Compound
| Compound ID |
CP0549174
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| Compound Name |
1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one
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| Structure |
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| Formula |
C23H31ClN2O
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| Molecular Weight |
386.967
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| Canonical SMILES |
Clc1cc(cc2cc[nH]c12)C(=O)CCC1CCN(CC2CCCCC2)CC1
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| InChI |
InChI=1S/C23H31ClN2O/c24-21-15-20(14-19-8-11-25-23(19)21)22(27)7-6-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h8,11,14-15,17-18,25H,1-7,9-10,12-13,16H2
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| InChIKey |
JWNWVBYZLJCIIB-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