General Information of the Compound
| Compound ID |
CP0281706
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| Compound Name |
6-(1,2,3,5,8,8a-Hexahydro-indolizin-7-yl)-1-(naphthalene-1-sulfonyl)-1H-indole
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| Structure |
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| Formula |
C26H24N2O2S
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| Molecular Weight |
428.557
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| Canonical SMILES |
O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)C1=CCN2CCCC2C1
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| InChI |
InChI=1S/C26H24N2O2S/c29-31(30,26-9-3-6-19-5-1-2-8-24(19)26)28-16-13-20-10-11-21(18-25(20)28)22-12-15-27-14-4-7-23(27)17-22/h1-3,5-6,8-13,16,18,23H,4,7,14-15,17H2
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| InChIKey |
KXPXHDBGGBQXDQ-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