General Information of the Compound
| Compound ID |
CP0548775
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| Compound Name |
CHEMBL4215510
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| Formula |
C28H38FN7O2
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| Molecular Weight |
523.657
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| Canonical SMILES |
CC(C)Nc1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)N[C@@H](CO)C(C)C)c2cc(cnc2n1)-c1cccc(F)c1
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| InChI |
InChI=1S/C28H38FN7O2/c1-16(2)24(15-37)34-28(38)33-22-10-8-21(9-11-22)32-26-23-13-19(18-6-5-7-20(29)12-18)14-30-25(23)35-27(36-26)31-17(3)4/h5-7,12-14,16-17,21-22,24,37H,8-11,15H2,1-4H3,(H2,33,34,38)(H2,30,31,32,35,36)/t21-,22+,24-/m0/s1
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| InChIKey |
JVPUVRRKNUBWPR-ZDXQCDESSA-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