General Information of the Compound
| Compound ID |
CP0652102
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| Compound Name |
sodium 1-amino-9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonate
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| Synonyms |
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, monosodium salt
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, sodium salt (1:1)
6408-78-2
AKOS015894441
AN-19165
Acid Blue 25
Acid Blue 25, Dye content 45 %
Acid blue 25
C.I. ACID BLUE 25
C20H13N2NaO5S
CHEMBL256057
CTK8F7553
DTXSID2044711
EC 229-068-1
EINECS 229-068-1
I04-8965
MFCD00001214
Q394
S2E15W6FSN
SCHEMBL790822
Sodium 1-amino-9,10-dioxo-4-phenylaminoanthracene-2-sulphonate
UNII-S2E15W6FSN
W-110136
sodium 1
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| Structure |
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| Formula |
C20H13N2NaO5S
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| Molecular Weight |
416.39
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C20H14N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h1-10,22H,21H2,(H,25,26,27);/q;+1/p-1
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| InChIKey |
LIKZXCROQGHXTI-UHFFFAOYSA-M
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| CAS |
37218-11-4
6408-78-2
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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: PT04712, 5'-nucleotidase
Protein ID: PT01877, P2Y purinoceptor 1
Protein ID: PT02449, P2Y purinoceptor 12
Protein ID: PT04714, P2Y purinoceptor 2
Protein ID: PT06508, P2Y purinoceptor 2
Protein ID: PT05219, P2Y purinoceptor 4
Protein ID: PT02796, P2Y purinoceptor 6
Clinical Information about the Compound