General Information of the Compound
| Compound ID |
CP0542595
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| Compound Name |
2-[2-(4-cyanophenyl)ethyl]-1-[(E)-(7-ethyl-5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
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| Structure |
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| Formula |
C22H24N6O
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| Molecular Weight |
388.475
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| Canonical SMILES |
CCc1cc(OC)cc2c(\C=N\NC(=N)NCCc3ccc(cc3)C#N)c[nH]c12
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| InChI |
InChI=1S/C22H24N6O/c1-3-17-10-19(29-2)11-20-18(13-26-21(17)20)14-27-28-22(24)25-9-8-15-4-6-16(12-23)7-5-15/h4-7,10-11,13-14,26H,3,8-9H2,1-2H3,(H3,24,25,28)/b27-14+
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| InChIKey |
RTTUIIYPZFKIHD-MZJWZYIUSA-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