| Properties | Image |
|---|
| MNX_ID | MNXM726246 |
 |
| reference | sabiorkM:13320 |
| formula | C19H18ClF2N3O3 |
| global charge | 0 |
| mol weight | 409.82 |
| InChIKey | PNUZDKCDAWUEGK-WCFLWFBJSA-N |
| InChI | InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12-,13+/m0/s1 |
| SMILES | N[C@@H]1CN(C2=C(F)C=C3C(=O)C(C(=O)O)=CN([C@H]4C[C@@H]4F)C3=C2Cl)CC12CC2 |
MNX internals
| InChI (mnx) | InChI=1/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12-,13+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C:19]12[CH2:7][N:24]([C:16]1=[C:11]([F:22])[CH:3]=[C:8]3[C:15](=[C:14]1[Cl:20])[N:25]([C@H:12]1[CH2:4][C@@H:10]1[F:21])[CH:5]=[C:9]([C:18](=[O:27])[OH:28])[C:17]3=[O:26])[CH2:6][C@H:13]2[NH2:23] |
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