General Information of the Compound
| Compound ID |
CP0439321
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| Compound Name |
(NZ)-N-[(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methylidene]hydroxylamine
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| Structure |
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| Formula |
C14H17ClN4O
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| Molecular Weight |
292.77
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| Canonical SMILES |
CN1CCN(CC1)C(=N/O)\c1cc2cc(Cl)ccc2[nH]1
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| InChI |
InChI=1S/C14H17ClN4O/c1-18-4-6-19(7-5-18)14(17-20)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16,20H,4-7H2,1H3/b17-14-
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| InChIKey |
YSEFYTJOKARSSH-VKAVYKQESA-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: PT01206, Histamine H1 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor
Protein ID: PT04730, Histamine H4 receptor
Protein ID: PT02519, Histamine H4 receptor