General Information of the Compound
| Compound ID |
CP0180377
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| Compound Name |
5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]-N-benzylpentan-1-amine
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| Structure |
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| Formula |
C30H36N4O2S
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| Molecular Weight |
516.711
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCNCc2ccccc2)CC1
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| InChI |
InChI=1S/C30H36N4O2S/c35-37(36,27-13-6-2-7-14-27)34-20-17-28-29(15-10-16-30(28)34)33-23-21-32(22-24-33)19-9-3-8-18-31-25-26-11-4-1-5-12-26/h1-2,4-7,10-17,20,31H,3,8-9,18-19,21-25H2
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| InChIKey |
CWITYEQBZKMPKP-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