Drug Information
Drug General Information | |||||
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Drug ID |
D0DW4J
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Former ID |
DNC000550
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Drug Name |
Dibenzo-p-dioxin-2-carboxylic acid
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Drug Type |
Small molecular drug
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Indication | Discovery agent | Investigative | [538015] | ||
Structure |
Download2D MOL |
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Formula |
C45H60N10O14
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Canonical SMILES |
CC(C)CC(C(=O)O)NC(=O)C1CNC(=O)CC(C(=O)NC(C(=O)NC(C(=O)N<br />1)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)NC(=O)C(CC(=O)NC5C(C(<br />C(C(O5)CO)O)O)NC(=O)C)N
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InChI |
1S/C45H60N10O14/c1-21(2)13-31(45(67)68)53-43(66)32-19-48-34(58)17-30(50-39(62)26(46)16-35(59)55-44-36(49-22(3)57)38(61)37(60)33(20-56)69-44)42(65)52-29(15-24-18-47-27-12-8-7-11-25(24)27)41(64)51-28(40(63)54-32)14-23-9-5-4-6-10-23/h4-12,18,21,26,28-33,36-38,44,47,56,60-61H,13-17,19-20,46H2,1-3H3,(H,48,58)(H,49,57)(H,50,62)(H,51,64)(H,52,65)(H,53,66)(H,54,63)(H,55,59)(H,67,68)/t26-,28-,29-,30-,31-,32-,33+,36+,37+,38+,44+/m0/s1
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InChIKey |
NPSVXOVMLVOMDD-SXRVEDALSA-N
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CAS Number |
CAS 183747-35-5
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PubChem Compound ID | |||||
PubChem Substance ID | |||||
Target and Pathway | |||||
Target(s) | DNA topoisomerase I | Target Info | Binder | [538015] | |
WikiPathways | Integrated Pancreatic Cancer Pathway | ||||
References |
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