General Information of the Compound
| Compound ID |
CP0381638
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| Compound Name |
4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol
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| Structure |
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| Formula |
C16H26N2O
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| Molecular Weight |
262.397
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccccc2)[C@H](CCCCO)CN1
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| InChI |
InChI=1S/C16H26N2O/c1-14-12-18(13-15-7-3-2-4-8-15)16(11-17-14)9-5-6-10-19/h2-4,7-8,14,16-17,19H,5-6,9-13H2,1H3/t14-,16-/m1/s1
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| InChIKey |
ZXNRHUVFDCSHQA-GDBMZVCRSA-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