General Information of the Compound
| Compound ID |
CP0076188
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| Compound Name |
1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine
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| Structure |
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| Formula |
C17H16N2O2S
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| Molecular Weight |
312.394
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| Canonical SMILES |
NC1Cc2cn(c3cccc(C1)c23)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C17H16N2O2S/c18-14-9-12-5-4-8-16-17(12)13(10-14)11-19(16)22(20,21)15-6-2-1-3-7-15/h1-8,11,14H,9-10,18H2
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| InChIKey |
LMESWUCYEXZYAH-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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