General Information of the Compound
| Compound ID |
CP0916804
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| Compound Name |
3,5-Dimethyl-isoxazole-4-sulfonic acid [3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-amide
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| Structure |
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| Formula |
C19H24N4O3S
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| Molecular Weight |
388.493
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| Canonical SMILES |
Cc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
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| InChI |
InChI=1S/C19H24N4O3S/c1-12-19(13(2)26-21-12)27(24,25)22-15-6-7-18-17(10-15)14(11-20-18)9-16-5-4-8-23(16)3/h6-7,10-11,16,20,22H,4-5,8-9H2,1-3H3/t16-/m1/s1
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| InChIKey |
NWNWNIHKEGIODQ-MRXNPFEDSA-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