General Information of the Compound
| Compound ID |
CP0392458
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| Compound Name |
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(2,4-dichloro-1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C16H20Cl2N6O4
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| Molecular Weight |
431.28
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1nc(Cl)[nH]c1Cl)NC(=O)[C@@H]1CCC(=O)N1
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| InChI |
InChI=1S/C16H20Cl2N6O4/c17-12-8(22-16(18)23-12)6-9(21-14(27)7-3-4-11(25)20-7)15(28)24-5-1-2-10(24)13(19)26/h7,9-10H,1-6H2,(H2,19,26)(H,20,25)(H,21,27)(H,22,23)/t7-,9-,10-/m0/s1
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| InChIKey |
GRDMLSZQORSINF-HGNGGELXSA-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: PT00626, Thyrotropin-releasing hormone receptor
Protein ID: PT04668, Thyrotropin-releasing hormone receptor