| Properties | Image |
|---|
| MNX_ID | MNXM160903 |
 |
| reference | keggD:D10157 |
| formula | C19H21FN3O5P |
| global charge | 0 |
| mol weight | 421.365 |
| InChIKey | FCCGJTKEKXUBFZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H18FN3O.H3O4P/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15;1-5(2,3)4/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24);(H3,1,2,3,4) |
| SMILES | CNCC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)N2)C=C1.O=P(O)(O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H18FN3O.H3O4P/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15;1-5(2,3)4/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24);(H3,1,2,3,4) |
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| SMILES (mnx) | [CH3:1][NH:21][CH2:10][C:11]1=[CH:3][CH:5]=[C:12]([C:18]2=[C:14]3[CH2:6][CH2:7][NH:22][C:19](=[O:24])[C:15]4=[CH:8][C:13]([F:20])=[CH:9][C:16](=[C:17]34)[NH:23]2)[CH:4]=[CH:2]1.[OH:25][P:29]([OH:26])([OH:27])=[O:28] |
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