Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
LHY27C
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Ligand Name |
3-{[(2r)-17-Ethyl-4-Methyl-3,12-Dioxo-7-[(Propan-2-Yl)sulfonyl]-13-Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-Hexaen-2-Yl]amino}benzamide
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Synonyms |
CHEMBL4069575; 3-{[(2r)-17-Ethyl-4-Methyl-3,12-Dioxo-7-[(Propan-2-Yl)sulfonyl]-13-Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-Hexaen-2-Yl]amino}benzamide; SCHEMBL3866135; BDBM50242360; 82J
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Structure |
Download2D MOL |
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Formula |
C31H36N4O6S
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Canonical SMILES |
CCC1=C2CCOC(=O)NC3=CC(=C(C=C3)S(=O)(=O)C(C)C)CN(C(=O)C(C(=C1)C=C2)NC4=CC=CC(=C4)C(=O)N)C
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InChI |
1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1
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InChIKey |
KZSYSYPLRUUKEU-MUUNZHRXSA-N
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PubChem Compound ID |
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