General Information of the Compound
| Compound ID |
CP0495341
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| Compound Name |
CHEMBL4217523
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| Formula |
C28H35N5O3
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| Molecular Weight |
489.62
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| Canonical SMILES |
C[C@H](CO)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)[C@H]2C[C@H](O)C2)c2cc(ccc2n1)-c1ccccc1
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| InChI |
InChI=1S/C28H35N5O3/c1-17(16-34)29-28-32-25-12-7-19(18-5-3-2-4-6-18)15-24(25)26(33-28)30-21-8-10-22(11-9-21)31-27(36)20-13-23(35)14-20/h2-7,12,15,17,20-23,34-35H,8-11,13-14,16H2,1H3,(H,31,36)(H2,29,30,32,33)/t17-,20-,21-,22-,23-/m1/s1
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| InChIKey |
XKGVIGQUWRKHLV-BGJWJPPZSA-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