General Information of the Compound
| Compound ID |
CP0667979
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| Compound Name |
N-carbamimidoyl-3-(2-((E)-3-(diaminomethyleneamino)-2-methyl-3-oxoprop-1-enyl)-4-methylphenyl)-2-methylacrylamide
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| Structure |
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| Formula |
C17H22N6O2
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| Molecular Weight |
342.403
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| Canonical SMILES |
C/C(=C\c1cc(C)ccc1/C=C(\C)C(=O)NC(=N)N)C(=O)N=C(N)N
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| InChI |
InChI=1S/C17H22N6O2/c1-9-4-5-12(7-10(2)14(24)22-16(18)19)13(6-9)8-11(3)15(25)23-17(20)21/h4-8H,1-3H3,(H4,18,19,22,24)(H4,20,21,23,25)/b10-7+,11-8+
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| InChIKey |
UEWGFTFNXDMBAM-AMMQDNIMSA-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: PT04401, Sodium/hydrogen exchanger 2
Protein ID: PT03762, Sodium/hydrogen exchanger 3