General Information of the Compound
| Compound ID |
CP0384417
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| Compound Name |
2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(7-ethyl-5-hydroxy-1H-indol-3-yl)methylideneamino]guanidine
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| Structure |
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| Formula |
C20H22ClN5O
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| Molecular Weight |
383.883
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| Canonical SMILES |
CCc1cc(O)cc2c(\C=N\NC(=N)NCCc3ccc(Cl)cc3)c[nH]c12
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| InChI |
InChI=1S/C20H22ClN5O/c1-2-14-9-17(27)10-18-15(11-24-19(14)18)12-25-26-20(22)23-8-7-13-3-5-16(21)6-4-13/h3-6,9-12,24,27H,2,7-8H2,1H3,(H3,22,23,26)/b25-12+
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| InChIKey |
NQWXHRRWWPCDAJ-BRJLIKDPSA-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