General Information of the Compound
| Compound ID |
CP0513833
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| Compound Name |
CHEMBL4212627
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| Formula |
C27H36FN7O2
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| Molecular Weight |
509.63
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| Canonical SMILES |
COC[C@@H](C)Nc1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)NC(C)C)c2nc(ccc2n1)-c1cccc(F)c1
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| InChI |
InChI=1S/C27H36FN7O2/c1-16(2)29-27(36)32-21-10-8-20(9-11-21)31-25-24-23(34-26(35-25)30-17(3)15-37-4)13-12-22(33-24)18-6-5-7-19(28)14-18/h5-7,12-14,16-17,20-21H,8-11,15H2,1-4H3,(H2,29,32,36)(H2,30,31,34,35)/t17-,20-,21+/m1/s1
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| InChIKey |
UBOMOBBLLYWFNU-UIFIKXQLSA-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