General Information of the Compound
| Compound ID |
CP0567554
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| Compound Name |
4-[4-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]butoxy]-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
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| Formula |
C34H38N4O3S
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| Molecular Weight |
582.77
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCOc2cccc3C(CCc23)NCC#C)CC1
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| InChI |
InChI=1S/C34H38N4O3S/c1-2-19-35-31-17-16-29-28(31)12-8-15-34(29)41-26-7-6-20-36-22-24-37(25-23-36)32-13-9-14-33-30(32)18-21-38(33)42(39,40)27-10-4-3-5-11-27/h1,3-5,8-15,18,21,31,35H,6-7,16-17,19-20,22-26H2
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| InChIKey |
GTFVZIBKTJFULH-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