General Information of the Compound
| Compound ID |
CP0436245
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| Compound Name |
2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[2-[2-[2-[3-oxo-3-[[1-[4-[(2-phenylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]amino]propoxy]ethoxy]ethoxy]ethylsulfamoyl]benzenesulfonate
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| Structure |
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| Formula |
C66H72N6O12S2
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| Molecular Weight |
1205.466
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| Canonical SMILES |
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)c3ccc(cc3oc2c1)=[N+](CC)CC
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| InChI |
InChI=1S/C66H72N6O12S2/c1-5-70(6-2)49-28-31-55-60(43-49)84-61-44-50(71(7-3)8-4)29-32-56(61)64(55)57-33-30-51(45-62(57)86(78,79)80)85(76,77)67-35-38-82-40-42-83-41-39-81-37-34-63(73)69-58-22-16-36-72(59-23-15-14-21-54(58)59)66(75)47-24-26-48(27-25-47)68-65(74)53-20-13-12-19-52(53)46-17-10-9-11-18-46/h9-15,17-21,23-33,43-45,58,67H,5-8,16,22,34-42H2,1-4H3,(H2-,68,69,73,74,75,78,79,80)
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| InChIKey |
SDSVZRBQCYMWED-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