General Information of the Compound
| Compound ID |
CP0853180
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| Compound Name |
8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino-3,1-(4-(methoxyphenylene)carbonylimino]]bis[naphthalene-1,3,5-trisulfonic acid]hexasodium salt
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| Structure |
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| Formula |
C51H34N6Na6O25S6
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| Molecular Weight |
1461.192
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| Canonical SMILES |
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3OC)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
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| InChI |
InChI=1S/C51H40N6O25S6.6Na/c1-81-39-13-9-27(49(60)54-35-11-15-41(85(69,70)71)33-21-31(83(63,64)65)23-43(45(33)35)87(75,76)77)19-37(39)56-47(58)25-5-3-7-29(17-25)52-51(62)53-30-8-4-6-26(18-30)48(59)57-38-20-28(10-14-40(38)82-2)50(61)55-36-12-16-42(86(72,73)74)34-22-32(84(66,67)68)24-44(46(34)36)88(78,79)80;;;;;;/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);;;;;;/q;6*+1/p-6
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| InChIKey |
AKHDXVNTAIPBJL-UHFFFAOYSA-H
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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