General Information of the Compound
| Compound ID |
CP0940537
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| Compound Name |
SID90341734
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| Structure |
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| Formula |
C23H25N2S+
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| Molecular Weight |
361.534
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| Canonical SMILES |
CC[n+]1c(C=CC=C2N(C)c3ccccc3C2(C)C)sc2ccccc21
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| InChI |
InChI=1S/C23H25N2S/c1-5-25-19-13-8-9-14-20(19)26-22(25)16-10-15-21-23(2,3)17-11-6-7-12-18(17)24(21)4/h6-16H,5H2,1-4H3/q+1
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| InChIKey |
NIAOXEKTWMHVEO-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