General Information of the Compound
| Compound ID |
CP0562487
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| Compound Name |
methyl 3-[(E)-[[N'-[2-(4-chlorophenyl)ethyl]carbamimidoyl]hydrazinylidene]methyl]-1H-indole-5-carboxylate
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| Structure |
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| Formula |
C20H20ClN5O2
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| Molecular Weight |
397.866
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| Canonical SMILES |
COC(=O)c1ccc2[nH]cc(\C=N\NC(=N)NCCc3ccc(Cl)cc3)c2c1
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| InChI |
InChI=1S/C20H20ClN5O2/c1-28-19(27)14-4-7-18-17(10-14)15(11-24-18)12-25-26-20(22)23-9-8-13-2-5-16(21)6-3-13/h2-7,10-12,24H,8-9H2,1H3,(H3,22,23,26)/b25-12+
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| InChIKey |
XJNHTGJJXVRLCE-BRJLIKDPSA-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