| Properties | Image |
|---|
| MNX_ID | MNXM1130241 |
 |
| reference | keggD:D12000 |
| formula | C32H30FN5O4 |
| global charge | 0 |
| mol weight | 567.621 |
| InChIKey | YTINZZFBHWSAGL-NDEPHWFRSA-N |
| InChI | InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)/t28-/m0/s1 |
| SMILES | N#CC1=CC=C(N2CCN(CC3=CC=C(COC4=C5CN([C@H]6CCC(=O)NC6=O)C(=O)C5=CC=C4)C=C3)CC2)C(F)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)/t28-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:24]2=[C:25]([CH2:19][N:38]([C@H:28]3[CH2:10][CH2:11][C:30]([OH:39])=[N:35][C:31]3=[O:40])[C:32]2=[O:41])[C:29]([O:42][CH2:20][C:22]2=[CH:7][CH:5]=[C:21]([CH2:18][N:36]3[CH2:12][CH2:14][N:37]([C:27]4=[C:26]([F:33])[CH:16]=[C:23]([C:17]#[N:34])[CH:8]=[CH:9]4)[CH2:15][CH2:13]3)[CH:4]=[CH:6]2)=[CH:3]1 |
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