General Information of the Compound
| Compound ID |
CP0233204
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| Compound Name |
N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1-benzylpyrrolidin-3-amine
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| Structure |
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| Formula |
C31H37N5O2S
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| Molecular Weight |
543.737
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCNC2CCN(Cc3ccccc3)C2)CC1
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| InChI |
InChI=1S/C31H37N5O2S/c37-39(38,28-10-5-2-6-11-28)36-18-15-29-30(12-7-13-31(29)36)35-22-20-33(21-23-35)19-16-32-27-14-17-34(25-27)24-26-8-3-1-4-9-26/h1-13,15,18,27,32H,14,16-17,19-25H2
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| InChIKey |
INJXDTSZGYICFA-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