General Information of the Compound
| Compound ID |
CP0483720
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| Compound Name |
4-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentoxy]-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
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| Formula |
C35H40N4O3S
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| Molecular Weight |
596.797
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCOc2cccc3C(CCc23)NCC#C)CC1
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| InChI |
InChI=1S/C35H40N4O3S/c1-2-20-36-32-18-17-30-29(32)13-9-16-35(30)42-27-8-4-7-21-37-23-25-38(26-24-37)33-14-10-15-34-31(33)19-22-39(34)43(40,41)28-11-5-3-6-12-28/h1,3,5-6,9-16,19,22,32,36H,4,7-8,17-18,20-21,23-27H2
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| InChIKey |
SWTXSNLJALLUBY-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