General Information of the Compound
| Compound ID |
CP0482244
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| Compound Name |
CHEMBL4210772
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| Formula |
C28H37FN6O3
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| Molecular Weight |
524.641
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| Canonical SMILES |
C[C@H](CO)Nc1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)NC(C)(C)CO)c2cc(ccc2n1)-c1cccc(F)c1
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| InChI |
InChI=1S/C28H37FN6O3/c1-17(15-36)30-26-33-24-12-7-19(18-5-4-6-20(29)13-18)14-23(24)25(34-26)31-21-8-10-22(11-9-21)32-27(38)35-28(2,3)16-37/h4-7,12-14,17,21-22,36-37H,8-11,15-16H2,1-3H3,(H2,32,35,38)(H2,30,31,33,34)/t17-,21-,22+/m1/s1
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| InChIKey |
SDYZNHGTLZXPGK-YHYVQYDKSA-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