General Information of the Compound
| Compound ID |
CP0400195
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| Compound Name |
(5-chloro-1H-indol-2-yl)-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C31H37ClN6O2
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| Molecular Weight |
561.13
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| Canonical SMILES |
COc1ccc(CN(CCN(C)CCN2CCN(CC2)C(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccn2)cc1
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| InChI |
InChI=1S/C31H37ClN6O2/c1-35(14-18-38(30-5-3-4-12-33-30)23-24-6-9-27(40-2)10-7-24)13-15-36-16-19-37(20-17-36)31(39)29-22-25-21-26(32)8-11-28(25)34-29/h3-12,21-22,34H,13-20,23H2,1-2H3
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| InChIKey |
GZUNLKUPHLSRKX-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: PT01206, Histamine H1 receptor
Protein ID: PT01711, Histamine H4 receptor