General Information of the Compound
| Compound ID |
CP0387972
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| Compound Name |
1-[[4-[4-[(1S)-4-methoxy-1-[(2S)-2-methylpyrrolidin-1-yl]butyl]phenyl]phenyl]methyl]piperidine
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| Structure |
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| Formula |
C28H40N2O
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| Molecular Weight |
420.641
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| Canonical SMILES |
COCCC[C@H](N1CCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C28H40N2O/c1-23-8-6-20-30(23)28(9-7-21-31-2)27-16-14-26(15-17-27)25-12-10-24(11-13-25)22-29-18-4-3-5-19-29/h10-17,23,28H,3-9,18-22H2,1-2H3/t23-,28-/m0/s1
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| InChIKey |
KBAMVQCVXIVXJD-FIPFOOKPSA-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor