General Information of the Compound
| Compound ID |
CP0562497
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| Compound Name |
methyl 4-[2-[[amino-[(2E)-2-[(5-methoxy-7-methyl-1H-indol-3-yl)methylidene]hydrazinyl]methylidene]amino]ethyl]benzoate
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| Structure |
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| Formula |
C22H25N5O3
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| Molecular Weight |
407.474
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| Canonical SMILES |
COC(=O)c1ccc(CCNC(=N)N\N=C\c2c[nH]c3c(C)cc(OC)cc23)cc1
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| InChI |
InChI=1S/C22H25N5O3/c1-14-10-18(29-2)11-19-17(12-25-20(14)19)13-26-27-22(23)24-9-8-15-4-6-16(7-5-15)21(28)30-3/h4-7,10-13,25H,8-9H2,1-3H3,(H3,23,24,27)/b26-13+
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| InChIKey |
OUFHJZDMKRBSGJ-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