General Information of the Compound
| Compound ID |
CP0485549
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| Compound Name |
2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(1-ethyl-1H-1,2,3-triazol-4-ylsulfonyl)piperidin-4-yl)methyl)benzamide
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| Structure |
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| Formula |
C21H27Cl2N5O3S
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| Molecular Weight |
500.452
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| Canonical SMILES |
CCn1cc(nn1)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
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| InChI |
InChI=1S/C21H27Cl2N5O3S/c1-2-27-13-19(25-26-27)32(30,31)28-9-7-21(8-10-28,12-15-3-4-15)14-24-20(29)17-6-5-16(22)11-18(17)23/h5-6,11,13,15H,2-4,7-10,12,14H2,1H3,(H,24,29)
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| InChIKey |
CFXJYGMBHGHHPA-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