General Information of the Compound
| Compound ID |
CP0863034
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| Compound Name |
9-(dimethylamino)-1,4,4-trimethyl-6-(5-(piperidine-1-carbono-thioyl)thiophen-2-yl)-2,3,4,6-tetrahydro-1H-thiochromeno[3,2-g]quinolin-6-ylium hexafluorophosphate
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| Structure |
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| Formula |
C31H36F6N3PS3
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| Molecular Weight |
691.813
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| Canonical SMILES |
CN1CCC(C)(C)c2cc3c(-c4ccc(C(=S)N5CCCCC5)s4)c4ccc(=[N+](C)C)cc-4sc3cc21.F[P-](F)(F)(F)(F)F
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| InChI |
InChI=1S/C31H36N3S3.F6P/c1-31(2)13-16-33(5)24-19-28-22(18-23(24)31)29(21-10-9-20(32(3)4)17-27(21)37-28)25-11-12-26(36-25)30(35)34-14-7-6-8-15-34;1-7(2,3,4,5)6/h9-12,17-19H,6-8,13-16H2,1-5H3;/q+1;-1
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| InChIKey |
UIHSPVXPYWHUQX-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