basic_info |
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Product_Name: | 4-[[(3-CHLORO-4-METHOXYPHENYL)METHYL]AMINO]-2-[(2S)-2-(HYDROXYMETHYL)-1-PYRROLIDINYL]-5-PYRIMIDINECARBOXYLIC ACID |
CAS: | 330785-84-7 |
EnglishSynonyms: | 4-[[(3-CHLORO-4-METHOXYPHENYL)METHYL]AMINO]-2-[(2S)-2-(HYDROXYMETHYL)-1-PYRROLIDINYL]-5-PYRIMIDINECARBOXYLIC ACID |
pro_mdlNumber: | MFCD18072441 |
pro_acceptors: | 8 |
pro_donors: | 3 |
pro_smile: | COc1ccc(cc1Cl)CNc2c(cnc(n2)N3CCC[C@H]3CO)C(=O)O |
InChi: | InChI=1S/C18H21ClN4O4/c1-27-15-5-4-11(7-14(15)19)8-20-16-13(17(25)26)9-21-18(22-16)23-6-2-3-12(23)10-24/h4-5,7,9,12,24H,2-3,6,8,10H2,1H3,(H,25,26)(H,20,21,22)/t12-/m0/s1 |
InChiKey: | InChIKey=KJYHORVTWSYSQP-LBPRGKRZSA-N |
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