General Information of the Compound
| Compound ID |
CP0469502
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| Compound Name |
CHEMBL3238242
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| Formula |
C34H45Cl2N3O5S
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| Molecular Weight |
678.723
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| Canonical SMILES |
CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCCS(O)(=O)=O
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| InChI |
InChI=1S/C34H45Cl2N3O5S/c1-32(2,3)14-13-28(22-7-9-23(10-8-22)30(40)37-17-18-45(42,43)44)39-31(41)29(24-19-26(35)21-27(36)20-24)38-34(39)15-11-25(12-16-34)33(4,5)6/h7-10,19-21,25,28H,11-18H2,1-6H3,(H,37,40)(H,42,43,44)/t25-,28-,34-/m1/s1
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| InChIKey |
VQDSZALDDISTPV-IAGXLSCVSA-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
Protein ID: PT01473, Glucagon receptor
Protein ID: PT01356, Glucagon-like peptide 1 receptor