General Information of the Compound
| Compound ID |
CP0852264
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| Compound Name |
6-(5-(diethylcarbamothioyl)thiophen-2-yl)-9-(dimethylamino)-1,4,4-trimethyl-2,3,4,6-tetrahydro-1Hthiochromeno[3,2-g]quinolin-6-ylium hexafluorophosphate
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| Structure |
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| Formula |
C30H36F6N3PS3
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| Molecular Weight |
679.802
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| Canonical SMILES |
CCN(CC)C(=S)c1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc4c(cc23)C(C)(C)CCN4C)s1.F[P-](F)(F)(F)(F)F
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| InChI |
InChI=1S/C30H36N3S3.F6P/c1-8-33(9-2)29(34)25-13-12-24(35-25)28-20-11-10-19(31(5)6)16-26(20)36-27-18-23-22(17-21(27)28)30(3,4)14-15-32(23)7;1-7(2,3,4,5)6/h10-13,16-18H,8-9,14-15H2,1-7H3;/q+1;-1
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| InChIKey |
NTTZIPWERYVBDS-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
Protein ID: PT01546, ATP-dependent translocase ABCB1