General Information of the Compound
| Compound ID |
CP0523239
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| Compound Name |
(3R)-1-[(5aS,9aR)-1-(2-methyl-1,3-thiazol-4-yl)-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
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| Structure |
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| Formula |
C23H26ClF3N6OS
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| Molecular Weight |
527.016
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| Canonical SMILES |
Cl.Cc1nc(cs1)-c1nnc2CC[C@H]3CN(CC[C@H]3n12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C23H25F3N6OS.ClH/c1-12-28-19(11-34-12)23-30-29-21-3-2-13-10-31(5-4-20(13)32(21)23)22(33)8-15(27)6-14-7-17(25)18(26)9-16(14)24;/h7,9,11,13,15,20H,2-6,8,10,27H2,1H3;1H/t13-,15+,20+;/m0./s1
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| InChIKey |
NGPBEWBDWSTZRZ-RFXIGBPJSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound