General Information of the Compound
| Compound ID |
CP0407897
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| Compound Name |
5-chloro-N-(1-((7-methoxybenzo[d][1,3]dioxol-5-yl)methyl)piperidin-4-yl)-1H-indazol-3-amine
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| Structure |
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| Formula |
C21H23ClN4O3
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| Molecular Weight |
414.893
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| Canonical SMILES |
COc1cc(CN2CCC(CC2)Nc2[nH]nc3ccc(Cl)cc23)cc2OCOc12
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| InChI |
InChI=1S/C21H23ClN4O3/c1-27-18-8-13(9-19-20(18)29-12-28-19)11-26-6-4-15(5-7-26)23-21-16-10-14(22)2-3-17(16)24-25-21/h2-3,8-10,15H,4-7,11-12H2,1H3,(H2,23,24,25)
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| InChIKey |
XSUONKWZVREZIU-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: PT01027, Melanin-concentrating hormone receptor 1