General Information of the Compound
| Compound ID |
CP0731184
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| Compound Name |
N-carbamimidoyl-3-(3-((E)-3-(diaminomethyleneamino)-2-methyl-3-oxoprop-1-enyl)phenyl)-2-methylacrylamide
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| Structure |
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| Formula |
C16H20N6O2
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| Molecular Weight |
328.376
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| Canonical SMILES |
C/C(=C\c1cccc(/C=C(\C)C(=O)NC(=N)N)c1)C(=O)N=C(N)N
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| InChI |
InChI=1S/C16H20N6O2/c1-9(13(23)21-15(17)18)6-11-4-3-5-12(8-11)7-10(2)14(24)22-16(19)20/h3-8H,1-2H3,(H4,17,18,21,23)(H4,19,20,22,24)/b9-6+,10-7+
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| InChIKey |
GNWHPBNSCPRHHH-KZZDLZNXSA-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: PT03805, Sodium/hydrogen exchanger 1
Protein ID: PT04308, Sodium/hydrogen exchanger 2
Protein ID: PT03762, Sodium/hydrogen exchanger 3