General Information of the Compound
| Compound ID |
CP0674787
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| Compound Name |
N-(6-(dimethylamino)-9-(3-(dimethylamino)phenyl)-3H-thioxanthen-3-ylidene)-N-methylmethanaminium chloride
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| Structure |
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| Formula |
C25H28ClN3S
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| Molecular Weight |
438.04
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| Canonical SMILES |
CN(C)c1cccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc(N(C)C)ccc23)c1.[Cl-]
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| InChI |
InChI=1S/C25H28N3S.ClH/c1-26(2)18-9-7-8-17(14-18)25-21-12-10-19(27(3)4)15-23(21)29-24-16-20(28(5)6)11-13-22(24)25;/h7-16H,1-6H3;1H/q+1;/p-1
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| InChIKey |
RTUZHJLSUINCMK-UHFFFAOYSA-M
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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