General Information of the Compound
| Compound ID |
CP0489100
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| Compound Name |
CHEMBL2024511
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| Formula |
C21H32F3N3O2S
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| Molecular Weight |
447.567
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| Canonical SMILES |
CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)CC1
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| InChI |
InChI=1S/C21H32F3N3O2S/c1-30(28,29)25-20-7-5-17(6-8-20)9-10-26-11-13-27(14-12-26)16-18-3-2-4-19(15-18)21(22,23)24/h2-4,15,17,20,25H,5-14,16H2,1H3/t17-,20-
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| InChIKey |
TWTKUCSHDGYPHU-IRJFHVNHSA-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