General Information of the Compound
| Compound ID |
CP0870933
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| Compound Name |
4-[5-(4-Benzhydryl-piperazin-1-yl)-pentyloxy]-2,3,6-trimethyl-phenol hydrochloride
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| Structure |
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| Formula |
C31H41ClN2O2
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| Molecular Weight |
509.134
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| Canonical SMILES |
Cc1cc(OCCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O.Cl
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| InChI |
InChI=1S/C31H40N2O2.ClH/c1-24-23-29(25(2)26(3)31(24)34)35-22-12-6-11-17-32-18-20-33(21-19-32)30(27-13-7-4-8-14-27)28-15-9-5-10-16-28;/h4-5,7-10,13-16,23,30,34H,6,11-12,17-22H2,1-3H3;1H
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| InChIKey |
NLACNAJMDIFGKQ-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