Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C27H19ClFN4O4.Na.H2O |
| Molecular Weight | 558.921 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Na+].COC1=CC(NC2=NC=C3CN=C(C4=CC(Cl)=CC=C4C3=N2)C5=C(OC)C=CC=C5F)=CC=C1C([O-])=O
InChI
InChIKey=WLPXWQKMVACWII-UHFFFAOYSA-M
InChI=1S/C27H20ClFN4O4.Na.H2O/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2;;/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33);;1H2/q;+1;/p-1
Approval Year
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NCI_THESAURUS |
C471
Created by
admin on Sat Dec 16 01:40:32 UTC 2023 , Edited by admin on Sat Dec 16 01:40:32 UTC 2023
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SUB128442
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1208255-63-3
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C142912
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DBSALT002940
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T76P158V9D
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300000024071
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XX-124
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CHEMBL483158
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56843791
Created by
admin on Sat Dec 16 01:40:32 UTC 2023 , Edited by admin on Sat Dec 16 01:40:32 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD