General Information of the Compound
| Compound ID |
CP0765956
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| Compound Name |
N-(6-(dimethylamino)-9-(5-(piperidine-1-carbonothioyl)thiophen-2-yl)-3H-thioxanthen-3-ylidene)-N-methylmethanaminium hexafluorophosphate
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| Structure |
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| Formula |
C27H30F6N3PS3
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| Molecular Weight |
637.721
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| Canonical SMILES |
CN(C)c1ccc2c(-c3ccc(C(=S)N4CCCCC4)s3)c3ccc(=[N+](C)C)cc-3sc2c1.F[P-](F)(F)(F)(F)F
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| InChI |
InChI=1S/C27H30N3S3.F6P/c1-28(2)18-8-10-20-24(16-18)33-25-17-19(29(3)4)9-11-21(25)26(20)22-12-13-23(32-22)27(31)30-14-6-5-7-15-30;1-7(2,3,4,5)6/h8-13,16-17H,5-7,14-15H2,1-4H3;/q+1;-1
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| InChIKey |
UAVJUXXEJQFNHX-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