CAL-101 ,1146702-54-6 _Chemical Cloud Database

CAL-101

Basic Information
Product Name：	CAL-101
CAS：	1146702-54-6 ;870281-82-6
English Synonyms：	CAL-101 (IDELALISIB, GS-1101) ; CAL-101 ; 5-FLUORO-3-PHENYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]-4(3H)-QUINAZOLINONE
MDL Number.：	MFCD19443647
H bond acceptor：	8
H bond donor：	2
Smile：	CC[C@@H](c1nc2cccc(c2c(=O)n1c3ccccc3)F)Nc4c5c([nH]cn5)ncn4
InChi：	InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
InChiKey：	InChIKey=IFSDAJWBUCMOAH-HNNXBMFYSA-N
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