General Information of the Compound
| Compound ID |
CP0086087
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| Compound Name |
2,4-dichloro-N-(((cis)-1-(cyclopropylmethyl)-4-(1-methyl-1H-1,2,3-triazol-4-ylsulfonyl)cyclohexyl)methyl)benzamide
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| Formula |
C21H26Cl2N4O3S
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| Molecular Weight |
485.437
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| Canonical SMILES |
Cn1cc(nn1)S(=O)(=O)[C@H]1CC[C@](CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
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| InChI |
InChI=1S/C21H26Cl2N4O3S/c1-27-12-19(25-26-27)31(29,30)16-6-8-21(9-7-16,11-14-2-3-14)13-24-20(28)17-5-4-15(22)10-18(17)23/h4-5,10,12,14,16H,2-3,6-9,11,13H2,1H3,(H,24,28)/t16-,21+
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| InChIKey |
SLAWODYHZHIDLN-NBEIKUQISA-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