General Information of the Compound
| Compound ID |
CP0562498
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| Compound Name |
1-[(E)-(5-cyano-7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-pyridin-3-ylethyl)guanidine
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| Structure |
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| Formula |
C20H21N7
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| Molecular Weight |
359.437
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| Canonical SMILES |
CCc1cc(cc2c(\C=N\NC(=N)NCCc3cccnc3)c[nH]c12)C#N
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| InChI |
InChI=1S/C20H21N7/c1-2-16-8-15(10-21)9-18-17(12-25-19(16)18)13-26-27-20(22)24-7-5-14-4-3-6-23-11-14/h3-4,6,8-9,11-13,25H,2,5,7H2,1H3,(H3,22,24,27)/b26-13+
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| InChIKey |
IXVWWQZWOYJKFK-LGJNPRDNSA-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