General Information of the Compound
| Compound ID |
CP0852103
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| Compound Name |
12-(dimethylamino)-2,3,6,7-tetrahydro-9-(5-(diethylcarbamothioyl)-thiophen-2-yl)-1H,5H-thioxantheno[2,3,4-ij]quinolizin-14-ium hexafluorophosphate
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| Structure |
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| Formula |
C30H34F6N3PS3
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| Molecular Weight |
677.786
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| Canonical SMILES |
CCN(CC)C(=S)c1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3c4c5c(cc23)CCCN5CCC4)s1.F[P-](F)(F)(F)(F)F
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| InChI |
InChI=1S/C30H34N3S3.F6P/c1-5-32(6-2)30(34)25-14-13-24(35-25)27-21-12-11-20(31(3)4)18-26(21)36-29-22-10-8-16-33-15-7-9-19(28(22)33)17-23(27)29;1-7(2,3,4,5)6/h11-14,17-18H,5-10,15-16H2,1-4H3;/q+1;-1
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| InChIKey |
FINNTSGVQGUGQP-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