General Information of the Compound
| Compound ID |
CP0443356
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| Compound Name |
N'-[(4-phenylpiperazin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
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| Structure |
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| Formula |
C24H35N5
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| Molecular Weight |
393.579
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| Canonical SMILES |
NCCCCN(CC1CN(CCN1)c1ccccc1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C24H35N5/c25-13-4-5-16-29(23-12-6-8-20-9-7-14-27-24(20)23)19-21-18-28(17-15-26-21)22-10-2-1-3-11-22/h1-3,7,9-11,14,21,23,26H,4-6,8,12-13,15-19,25H2/t21?,23-/m0/s1
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| InChIKey |
UHSPBYGMFDJODE-YANBTOMASA-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