General Information of the Compound
| Compound ID |
CP0547323
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| Compound Name |
CHEMBL4207573
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| Formula |
C27H33FN6O2
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| Molecular Weight |
492.599
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| Canonical SMILES |
C[C@H](CO)Nc1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)NC2CC2)c2cc(ccc2n1)-c1cccc(F)c1
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| InChI |
InChI=1S/C27H33FN6O2/c1-16(15-35)29-26-33-24-12-5-18(17-3-2-4-19(28)13-17)14-23(24)25(34-26)30-20-6-8-21(9-7-20)31-27(36)32-22-10-11-22/h2-5,12-14,16,20-22,35H,6-11,15H2,1H3,(H2,31,32,36)(H2,29,30,33,34)/t16-,20-,21+/m1/s1
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| InChIKey |
NFGBSWYFCZVSOZ-HBGVWJBISA-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