General Information of the Compound
| Compound ID |
CP0517844
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| Compound Name |
1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine
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| Structure |
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| Formula |
C9H11Cl2N5
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| Molecular Weight |
260.128
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| Canonical SMILES |
NC(N)=N\C(N)=N\Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C9H11Cl2N5/c10-6-2-1-5(3-7(6)11)4-15-9(14)16-8(12)13/h1-3H,4H2,(H6,12,13,14,15,16)
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| InChIKey |
ZHZPKDJDPIALEI-UHFFFAOYSA-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT04763, Trace amine-associated receptor 1
Protein ID: PT06391, Trace amine-associated receptor 5