General Information of the Compound
| Compound ID |
CP0411280
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| Compound Name |
CHEMBL3237921
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| Formula |
C31H35Cl2N7O2
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| Molecular Weight |
608.574
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](C1CC1)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C31H35Cl2N7O2/c1-30(2,3)22-10-12-31(13-11-22)35-26(21-14-23(32)16-24(33)15-21)29(42)40(31)27(18-4-5-18)19-6-8-20(9-7-19)28(41)34-17-25-36-38-39-37-25/h6-9,14-16,18,22,27H,4-5,10-13,17H2,1-3H3,(H,34,41)(H,36,37,38,39)/t22-,27-,31-/m1/s1
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| InChIKey |
LDKRBOJSAIJCMR-ZSADTWRWSA-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