General Information of the Compound
| Compound ID |
CP0532093
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| Compound Name |
CHEMBL4206652
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| Formula |
C28H38FN7O3
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| Molecular Weight |
539.656
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| Canonical SMILES |
CC(C)[C@H](CO)NC(=O)N[C@H]1CC[C@H](CC1)Nc1nc(N[C@H](C)CO)nc2ncc(cc12)-c1cccc(F)c1
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| InChI |
InChI=1S/C28H38FN7O3/c1-16(2)24(15-38)34-28(39)33-22-9-7-21(8-10-22)32-26-23-12-19(18-5-4-6-20(29)11-18)13-30-25(23)35-27(36-26)31-17(3)14-37/h4-6,11-13,16-17,21-22,24,37-38H,7-10,14-15H2,1-3H3,(H2,33,34,39)(H2,30,31,32,35,36)/t17-,21-,22+,24+/m1/s1
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| InChIKey |
ANLJZCVOUOBBGN-INYSMAPRSA-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