General Information of the Compound
| Compound ID |
CP0495339
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| Compound Name |
CHEMBL4204379
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| Formula |
C27H33FN6O3
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| Molecular Weight |
508.598
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| Canonical SMILES |
C[C@H](CO)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)N2CC(O)C2)c2cc(ccc2n1)-c1cccc(F)c1
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| InChI |
InChI=1S/C27H33FN6O3/c1-16(15-35)29-26-32-24-10-5-18(17-3-2-4-19(28)11-17)12-23(24)25(33-26)30-20-6-8-21(9-7-20)31-27(37)34-13-22(36)14-34/h2-5,10-12,16,20-22,35-36H,6-9,13-15H2,1H3,(H,31,37)(H2,29,30,32,33)/t16-,20-,21-/m1/s1
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| InChIKey |
BUSKWJWGVXSNQM-MAODMQOUSA-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: PT04372, Atrial natriuretic peptide receptor 1
Protein ID: PT06432, Atrial natriuretic peptide receptor 1