Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6ZI7R
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| Ligand Name |
(4~{S})-1-[1-[(2~{S})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one
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| Synonyms |
(4~{S})-1-[1-[(2~{S})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one; SCHEMBL4527472; BDBM586498; BCJ
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| Structure |
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Download2D MOL |
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| Formula |
C34H49F3N6O5S2
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| Canonical SMILES |
CC1CCN(CC1)CCSC2=C(C=CC(=C2)C3=NN(C4=C3CN(CC4)S(=O)(=O)C)CC(CN5CCC(CC5)N6CC(CC6=O)O)O)C(F)(F)F
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| InChI |
1S/C34H49F3N6O5S2/c1-23-5-10-39(11-6-23)15-16-49-31-17-24(3-4-29(31)34(35,36)37)33-28-22-41(50(2,47)48)14-9-30(28)43(38-33)21-27(45)19-40-12-7-25(8-13-40)42-20-26(44)18-32(42)46/h3-4,17,23,25-27,44-45H,5-16,18-22H2,1-2H3/t26-,27-/m0/s1
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| InChIKey |
CKJQVJQFVFWPOY-SVBPBHIXSA-N
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| PubChem Compound ID | ||||
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