General Information of the Compound
| Compound ID |
CP0417375
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| Compound Name |
CHEMBL4214562
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| Formula |
C28H37FN6O
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| Molecular Weight |
492.643
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| Canonical SMILES |
CC(C)Nc1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)N(C)C(C)C)c2cc(ccc2n1)-c1cccc(F)c1
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| InChI |
InChI=1S/C28H37FN6O/c1-17(2)30-27-33-25-14-9-20(19-7-6-8-21(29)15-19)16-24(25)26(34-27)31-22-10-12-23(13-11-22)32-28(36)35(5)18(3)4/h6-9,14-18,22-23H,10-13H2,1-5H3,(H,32,36)(H2,30,31,33,34)/t22-,23+
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| InChIKey |
SQQHYVCKANKYLI-ZRZAMGCNSA-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