General Information of the Compound
| Compound ID |
CP0562501
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| Compound Name |
1-[(E)-(7-ethyl-5-methoxy-1H-indol-3-yl)methylideneamino]-2-(2-pyridin-3-ylethyl)guanidine
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| Structure |
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| Formula |
C20H24N6O
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| Molecular Weight |
364.453
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| Canonical SMILES |
CCc1cc(OC)cc2c(\C=N\NC(=N)NCCc3cccnc3)c[nH]c12
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| InChI |
InChI=1S/C20H24N6O/c1-3-15-9-17(27-2)10-18-16(12-24-19(15)18)13-25-26-20(21)23-8-6-14-5-4-7-22-11-14/h4-5,7,9-13,24H,3,6,8H2,1-2H3,(H3,21,23,26)/b25-13+
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| InChIKey |
ABTYBLAVEQVZGP-DHRITJCHSA-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: PT05534, Relaxin-3 receptor 1
Protein ID: PT06233, Relaxin-3 receptor 2