General Information of the Compound
| Compound ID |
CP0469677
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| Compound Name |
(3R)-1-[(5aR,9aR)-1-propan-2-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 |
C22H29ClF3N5O
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| Molecular Weight |
471.955
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| Canonical SMILES |
Cl.CC(C)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/C22H28F3N5O.ClH/c1-12(2)22-28-27-20-4-3-13-11-29(6-5-19(13)30(20)22)21(31)9-15(26)7-14-8-17(24)18(25)10-16(14)23;/h8,10,12-13,15,19H,3-7,9,11,26H2,1-2H3;1H/t13-,15-,19-;/m1./s1
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| InChIKey |
SWWGVDAQPQANAI-NFOYORQJSA-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