General Information of the Compound
| Compound ID |
CP0655034
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| Compound Name |
Oroidin
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| Synonyms |
1H-Pyrrole-2-carboxamide, N-[(2E)-3-(2-amino-1H-imidazol-5-yl)-2-
34649-22-4
4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-amino-1H-imidazol-4-yl)-allyl]-amide
AC1O3Q2I
BDBM50220547
CHEBI:70037
CHEMBL397591
MLS001250229
N-(3-(2-Amino-1H-imidazole-5-yl)allyl)-4,5-dibromo-1H-pyrrole-2-carboxamide
N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
OROIDIN
Oroidin
Oroidin - CASMI2016 Category 1 - Challenge 2
Oroidine
PF75E92XKM
SCHEMBL12597862
SMR001216083
UNII-PF75E92XKM
oroidin base
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| Structure |
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| Formula |
C11H11Br2N5O
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| Molecular Weight |
389.051
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| Canonical SMILES |
Nc1ncc(/C=C/CNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1
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| InChI |
InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)/b2-1+
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| InChIKey |
QKJAXHBFQSBDAR-OWOJBTEDSA-N
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| CAS |
34649-22-4
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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: PT02933, Potassium voltage-gated channel subfamily A member 1
Protein ID: PT03487, Potassium voltage-gated channel subfamily A member 2
Protein ID: PT02298, Potassium voltage-gated channel subfamily A member 3
Protein ID: PT05924, Potassium voltage-gated channel subfamily A member 4
Protein ID: PT02768, Potassium voltage-gated channel subfamily A member 5
Protein ID: PT04271, Potassium voltage-gated channel subfamily A member 6
Clinical Information about the Compound