General Information of the Compound
| Compound ID |
CP0495340
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| Compound Name |
CHEMBL4209646
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| Formula |
C27H35FN6O
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| Molecular Weight |
478.616
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| Canonical SMILES |
CC(C)NC(=O)N[C@H]1CC[C@H](CC1)Nc1nc(NC(C)C)nc2ccc(cc12)-c1cccc(F)c1
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| InChI |
InChI=1S/C27H35FN6O/c1-16(2)29-26-33-24-13-8-19(18-6-5-7-20(28)14-18)15-23(24)25(34-26)31-21-9-11-22(12-10-21)32-27(35)30-17(3)4/h5-8,13-17,21-22H,9-12H2,1-4H3,(H2,30,32,35)(H2,29,31,33,34)/t21-,22+
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| InChIKey |
PMQDQOHCXXWAQC-SZPZYZBQSA-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: PT06432, Atrial natriuretic peptide receptor 1
Protein ID: PT04372, Atrial natriuretic peptide receptor 1