General Information of the Compound
| Compound ID |
CP0953549
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| Compound Name |
4-cyano-N-(2-{7-[(2-methyl-1H-indol-3-yl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H29N5O3S
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| Molecular Weight |
479.606
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| Canonical SMILES |
Cc1[nH]c2ccccc2c1CN1CC2CN(CCNS(=O)(=O)c3ccc(C#N)cc3)CC(C1)O2
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| InChI |
InChI=1S/C25H29N5O3S/c1-18-24(23-4-2-3-5-25(23)28-18)17-30-15-20-13-29(14-21(16-30)33-20)11-10-27-34(31,32)22-8-6-19(12-26)7-9-22/h2-9,20-21,27-28H,10-11,13-17H2,1H3
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| InChIKey |
INDWISXZBNROOF-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