General Information of the Compound
| Compound ID |
CP0417370
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| Compound Name |
CHEMBL4214047
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| Formula |
C27H35FN6O2
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| Molecular Weight |
494.615
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| Canonical SMILES |
COCCNc1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)NC(C)C)c2cc(ccc2n1)-c1cccc(F)c1
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| InChI |
InChI=1S/C27H35FN6O2/c1-17(2)30-27(35)32-22-10-8-21(9-11-22)31-25-23-16-19(18-5-4-6-20(28)15-18)7-12-24(23)33-26(34-25)29-13-14-36-3/h4-7,12,15-17,21-22H,8-11,13-14H2,1-3H3,(H2,30,32,35)(H2,29,31,33,34)/t21-,22+
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| InChIKey |
JTGSJAPEPMOZOM-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: PT04372, Atrial natriuretic peptide receptor 1
Protein ID: PT06432, Atrial natriuretic peptide receptor 1