General Information of the Compound
| Compound ID |
CP0460188
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| Compound Name |
5-(3-chlorophenyl)-N-(diaminomethylene)-3-(1H-pyrrol-1-yl)furan-2-carboxamide
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| Structure |
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| Formula |
C16H13ClN4O2
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| Molecular Weight |
328.759
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| Canonical SMILES |
NC(=N)NC(=O)c1oc(cc1-n1cccc1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C16H13ClN4O2/c17-11-5-3-4-10(8-11)13-9-12(21-6-1-2-7-21)14(23-13)15(22)20-16(18)19/h1-9H,(H4,18,19,20,22)
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| InChIKey |
KQKWSDLURBHTRU-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