General Information of the Compound
| Compound ID |
CP0417373
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| Compound Name |
CHEMBL4205090
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| Formula |
C29H39FN6O2
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| Molecular Weight |
522.669
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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(ccc2n1)-c1cccc(F)c1
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| InChI |
InChI=1S/C29H39FN6O2/c1-17(2)26(16-37)35-29(38)33-23-11-9-22(10-12-23)32-27-24-15-20(19-6-5-7-21(30)14-19)8-13-25(24)34-28(36-27)31-18(3)4/h5-8,13-15,17-18,22-23,26,37H,9-12,16H2,1-4H3,(H2,33,35,38)(H2,31,32,34,36)/t22-,23+,26-/m0/s1
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| InChIKey |
IVHDQNVBUVSULX-ZEVJAHDQSA-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