General Information of the Compound
| Compound ID |
CP0482243
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| Compound Name |
CHEMBL4207138
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| Formula |
C30H39FN6O3
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| Molecular Weight |
550.679
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| Canonical SMILES |
C[C@H](CO)Nc1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)NC2(CO)CCCC2)c2cc(ccc2n1)-c1cccc(F)c1
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| InChI |
InChI=1S/C30H39FN6O3/c1-19(17-38)32-28-35-26-12-7-21(20-5-4-6-22(31)15-20)16-25(26)27(36-28)33-23-8-10-24(11-9-23)34-29(40)37-30(18-39)13-2-3-14-30/h4-7,12,15-16,19,23-24,38-39H,2-3,8-11,13-14,17-18H2,1H3,(H2,34,37,40)(H2,32,33,35,36)/t19-,23-,24+/m1/s1
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| InChIKey |
RMGPQXNQAAUOOB-FOVJLYNBSA-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