General Information of the Compound
| Compound ID |
CP0190649
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| Compound Name |
6-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]-N-benzylhexan-1-amine
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| Structure |
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| Formula |
C31H38N4O2S
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| Molecular Weight |
530.738
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCNCc2ccccc2)CC1
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| InChI |
InChI=1S/C31H38N4O2S/c36-38(37,28-14-7-4-8-15-28)35-21-18-29-30(16-11-17-31(29)35)34-24-22-33(23-25-34)20-10-2-1-9-19-32-26-27-12-5-3-6-13-27/h3-8,11-18,21,32H,1-2,9-10,19-20,22-26H2
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| InChIKey |
QFAZJZRPJSUMMX-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