General Information of the Compound
| Compound ID |
CP0399983
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| Compound Name |
[5-[1-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]propan-2-ylamino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C33H43N7O2
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| Molecular Weight |
569.754
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| Canonical SMILES |
COc1ccc(CN(CCN(C)CC(C)Nc2ccc3[nH]c(cc3c2)C(=O)N2CCN(C)CC2)c2ccccn2)cc1
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| InChI |
InChI=1S/C33H43N7O2/c1-25(35-28-10-13-30-27(21-28)22-31(36-30)33(41)39-18-15-37(2)16-19-39)23-38(3)17-20-40(32-7-5-6-14-34-32)24-26-8-11-29(42-4)12-9-26/h5-14,21-22,25,35-36H,15-20,23-24H2,1-4H3
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| InChIKey |
YMLNOWNONRZEDQ-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