General Information of the Compound
| Compound ID |
CP0545248
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| Compound Name |
CHEMBL4212125
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| Formula |
C27H35FN6O2
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| Molecular Weight |
494.615
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| Canonical SMILES |
CC(C)NC(=O)N[C@H]1CC[C@H](CC1)Nc1nc(N[C@H](C)CO)nc2ccc(cc12)-c1cccc(F)c1
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| InChI |
InChI=1S/C27H35FN6O2/c1-16(2)29-27(36)32-22-10-8-21(9-11-22)31-25-23-14-19(18-5-4-6-20(28)13-18)7-12-24(23)33-26(34-25)30-17(3)15-35/h4-7,12-14,16-17,21-22,35H,8-11,15H2,1-3H3,(H2,29,32,36)(H2,30,31,33,34)/t17-,21-,22+/m1/s1
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| InChIKey |
ATZLHDZWWHBJEQ-YHYVQYDKSA-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