Details
| Stereochemistry | RACEMIC |
| Molecular Formula | 2C17H13ClN4.3C4H4O4 |
| Molecular Weight | 965.746 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 3 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.ClC1=CC=CC(=C1)C(N2C=CN=C2)C3=CC=C4N=CNC4=C3.ClC5=CC=CC(=C5)C(N6C=CN=C6)C7=CC=C8N=CNC8=C7
InChI
InChIKey=IDTXURCCJVODEQ-VQYXCCSOSA-N
InChI=1S/2C17H13ClN4.3C4H4O4/c2*18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15;3*5-3(6)1-2-4(7)8/h2*1-11,17H,(H,20,21);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+
Approval Year
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NCI_THESAURUS |
C2018
Created by
admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
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C1524
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SUB130508
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11983193
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m6798
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100000156524
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CHEMBL389433
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145858-52-2
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FF-47
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91W7VLK7J3
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ACTIVE MOIETY
SUBSTANCE RECORD
