General Information of the Compound
| Compound ID |
CP0558400
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| Compound Name |
N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1-methylindole-4-sulfonamide
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| Structure |
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| Formula |
C24H29N5O3S
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| Molecular Weight |
467.595
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| Canonical SMILES |
CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2n(C)ccc12
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| InChI |
InChI=1S/C24H29N5O3S/c1-18-8-14-29(15-9-18)24(30)21(11-16-28-12-4-5-19(28)17-25)26-33(31,32)23-7-3-6-22-20(23)10-13-27(22)2/h3-7,10,12-13,18,21,26H,8-9,11,14-16H2,1-2H3
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| InChIKey |
GJBZOFJQFQXZEW-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: PT05484, C-C chemokine receptor type 10
Protein ID: PT06377, C-C chemokine receptor type 10