General Information of the Compound
| Compound ID |
CP0548774
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| Compound Name |
CHEMBL4218032
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| Formula |
C31H42N6O2
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| Molecular Weight |
530.717
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| Canonical SMILES |
CC(C)N[C@H]1C[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)Nc1nc(N[C@H](C)CO)nc2ccc(cc12)-c1ccccc1
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| InChI |
InChI=1S/C31H42N6O2/c1-19(2)32-26-15-23(16-26)30(39)35-25-12-10-24(11-13-25)34-29-27-17-22(21-7-5-4-6-8-21)9-14-28(27)36-31(37-29)33-20(3)18-38/h4-9,14,17,19-20,23-26,32,38H,10-13,15-16,18H2,1-3H3,(H,35,39)(H2,33,34,36,37)/t20-,23-,24-,25-,26-/m1/s1
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| InChIKey |
SGXRWXNSBFXSEC-VKQKEIENSA-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