General Information of the Compound
| Compound ID |
CP0452491
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| Compound Name |
2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(1-(2,2,2-trifluoroethyl)-1H-1,2,3-triazol-4-ylsulfonyl)piperidin-4-yl)methyl)benzamide
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| Structure |
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| Formula |
C21H24Cl2F3N5O3S
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| Molecular Weight |
554.422
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| Canonical SMILES |
FC(F)(F)Cn1cc(nn1)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
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| InChI |
InChI=1S/C21H24Cl2F3N5O3S/c22-15-3-4-16(17(23)9-15)19(32)27-12-20(10-14-1-2-14)5-7-31(8-6-20)35(33,34)18-11-30(29-28-18)13-21(24,25)26/h3-4,9,11,14H,1-2,5-8,10,12-13H2,(H,27,32)
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| InChIKey |
SVAIKWJKPXOGMS-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