General Information of the Compound
| Compound ID |
CP0308893
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| Compound Name |
N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1-benzylpiperidin-4-amine
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| Structure |
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| Formula |
C32H39N5O2S
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| Molecular Weight |
557.764
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCNC2CCN(Cc3ccccc3)CC2)CC1
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| InChI |
InChI=1S/C32H39N5O2S/c38-40(39,29-10-5-2-6-11-29)37-20-16-30-31(12-7-13-32(30)37)36-24-22-34(23-25-36)21-17-33-28-14-18-35(19-15-28)26-27-8-3-1-4-9-27/h1-13,16,20,28,33H,14-15,17-19,21-26H2
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| InChIKey |
YDYOZLWYBAEKHN-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