General Information of the Compound
| Compound ID |
CP0536152
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| Compound Name |
(2R,5R)-1-benzyl-5-methyl-2-pentylpiperazine
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| Structure |
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| Formula |
C17H28N2
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| Molecular Weight |
260.425
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| Canonical SMILES |
CCCCC[C@@H]1CN[C@H](C)CN1Cc1ccccc1
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| InChI |
InChI=1S/C17H28N2/c1-3-4-6-11-17-12-18-15(2)13-19(17)14-16-9-7-5-8-10-16/h5,7-10,15,17-18H,3-4,6,11-14H2,1-2H3/t15-,17-/m1/s1
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| InChIKey |
PGRDTEXVQXSEPB-NVXWUHKLSA-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: PT04580, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT02836, Voltage-dependent N-type calcium channel subunit alpha-1B