General Information of the Compound
| Compound ID |
CP0675509
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| Compound Name |
N-(9-(5-(diethylcarbamoyl)thiophen-2-yl)-6-(dimethylamino)-3H-selenoxanthen-3-ylidene)-N-methylmethanaminium hexafluorophosphate (V)
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| Structure |
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| Formula |
C26H30F6N3OPSSe
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| Molecular Weight |
656.535
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3[se]c3cc(N(C)C)ccc23)s1.F[P-](F)(F)(F)(F)F
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| InChI |
InChI=1S/C26H30N3OSSe.F6P/c1-7-29(8-2)26(30)22-14-13-21(31-22)25-19-11-9-17(27(3)4)15-23(19)32-24-16-18(28(5)6)10-12-20(24)25;1-7(2,3,4,5)6/h9-16H,7-8H2,1-6H3;/q+1;-1
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| InChIKey |
KQNNYURSPZRWTI-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