Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LC51MX
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| Ligand Name |
(2r,4s,5s)-5-Amino-6-[4-(2-Chlorophenyl)-2,2-Dimethyl-5-Oxopiperazin-1-Yl]-2-Ethyl-4-Hydroxy-N-[(1r,2s,3s,5s,7s)-5-Hydroxytricyclo[3.3.1.1~3,7~]dec-2-Yl]hexanamide
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| Synonyms |
(2r,4s,5s)-5-Amino-6-[4-(2-Chlorophenyl)-2,2-Dimethyl-5-Oxopiperazin-1-Yl]-2-Ethyl-4-Hydroxy-N-[(1r,2s,3s,5s,7s)-5-Hydroxytricyclo[3.3.1.1~3,7~]dec-2-Yl]hexanamide; DS-8108b; HHE
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| Structure |
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Download2D MOL |
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| Formula |
C30H45ClN4O4
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| Canonical SMILES |
CCC(CC(C(CN1CC(=O)N(CC1(C)C)C2=CC=CC=C2Cl)N)O)C(=O)NC3C4CC5CC3CC(C5)(C4)O
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| InChI |
1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18?,19-,20-,21+,23+,25+,27?,30?/m1/s1
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| InChIKey |
MGQQKSSUXHKDSK-TVUBJCIUSA-N
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| PubChem Compound ID | ||||
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