General Information of the Compound
| Compound ID |
CP0461878
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| Compound Name |
7-[1-(Naphthalene-1-sulfonyl)-1H-indol-6-yl]-octahydro-indolizin-7-ol
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| Structure |
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| Formula |
C26H26N2O3S
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| Molecular Weight |
446.572
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| Canonical SMILES |
OC1(CCN2CCCC2C1)c1ccc2ccn(c2c1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C26H26N2O3S/c29-26(13-16-27-14-4-7-22(27)18-26)21-11-10-20-12-15-28(24(20)17-21)32(30,31)25-9-3-6-19-5-1-2-8-23(19)25/h1-3,5-6,8-12,15,17,22,29H,4,7,13-14,16,18H2
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| InChIKey |
WHASPDDANATWBF-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