PDB CCD ID: | 2EI | ||||||||||
Number of entries in BioLiP: | 1 | ||||||||||
Chemical formula: | C32 H33 N5 O3 | ||||||||||
InChI: | InChI=1S/C32H33N5O3/c1-4-30(38)36-18-26(14-21(36)2)37-19-29(23-10-12-33-13-11-23)31(34-37)24-6-5-7-27(16-24)40-20-22-8-9-28-25(15-22)17-35(3)32(28)39/h5-13,15-16,19,21,26H,4,14,17-18,20H2,1-3H3/t21-,26+/m1/s1 | ||||||||||
InChIKey: | XNXURTFOXXUXIA-RLWLMLJZSA-N | ||||||||||
SMILES: |
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Name: | 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one |