General Information of the Compound
| Compound ID |
CP0524347
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| Compound Name |
(+/-)-1-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(2-naphthylmethyl)piperazine
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| Structure |
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| Formula |
C28H35FN4
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| Molecular Weight |
446.614
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| Canonical SMILES |
CN1CCN(CC1)C(CN1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H35FN4/c1-30-12-18-33(19-13-30)28(25-8-10-27(29)11-9-25)22-32-16-14-31(15-17-32)21-23-6-7-24-4-2-3-5-26(24)20-23/h2-11,20,28H,12-19,21-22H2,1H3
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| InChIKey |
IBLBPEMZQKEEHM-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