General Information of the Compound
| Compound ID |
CP0482245
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| Compound Name |
CHEMBL4216406
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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)nc2cnc(cc12)-c1cccc(F)c1
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| InChI |
InChI=1S/C28H38FN7O3/c1-16(2)25(15-38)35-28(39)33-21-9-7-20(8-10-21)32-26-22-12-23(18-5-4-6-19(29)11-18)30-13-24(22)34-27(36-26)31-17(3)14-37/h4-6,11-13,16-17,20-21,25,37-38H,7-10,14-15H2,1-3H3,(H2,33,35,39)(H2,31,32,34,36)/t17-,20-,21+,25+/m1/s1
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| InChIKey |
OACSQNNUFUFSOV-DUHPJZPXSA-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