General Information of the Compound
| Compound ID |
CP0425036
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| Compound Name |
N'-[[(2S)-4-naphthalen-2-ylsulfonylpiperazin-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 |
C28H37N5O2S
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| Molecular Weight |
507.704
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| Canonical SMILES |
NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1ccc2ccccc2c1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C28H37N5O2S/c29-14-3-4-17-32(27-11-5-9-23-10-6-15-31-28(23)27)20-25-21-33(18-16-30-25)36(34,35)26-13-12-22-7-1-2-8-24(22)19-26/h1-2,6-8,10,12-13,15,19,25,27,30H,3-5,9,11,14,16-18,20-21,29H2/t25-,27-/m0/s1
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| InChIKey |
RBVVREZHHVXSTH-BDYUSTAISA-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