General Information of the Compound
| Compound ID |
CP0529821
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| Compound Name |
(4S,5S)-5-methoxy-N,N-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-benzo[cd]indol-4-amine
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| Structure |
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| Formula |
C21H24N2O3S
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| Molecular Weight |
384.501
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| Canonical SMILES |
CO[C@@H]1[C@H](Cc2cn(c3cccc1c23)S(=O)(=O)c1ccc(C)cc1)N(C)C
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| InChI |
InChI=1S/C21H24N2O3S/c1-14-8-10-16(11-9-14)27(24,25)23-13-15-12-19(22(2)3)21(26-4)17-6-5-7-18(23)20(15)17/h5-11,13,19,21H,12H2,1-4H3/t19-,21-/m0/s1
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| InChIKey |
IMWREOXJWBKCPU-FPOVZHCZSA-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