General Information of the Compound
| Compound ID |
CP0513445
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| Compound Name |
CHEMBL2024509
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| Formula |
C21H29F3N4O2S
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| Molecular Weight |
458.55
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| Canonical SMILES |
CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1
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| InChI |
InChI=1S/C21H29F3N4O2S/c1-31(29,30)26-19-4-2-16(3-5-19)6-7-27-8-10-28(11-9-27)20-13-17(15-25)12-18(14-20)21(22,23)24/h12-14,16,19,26H,2-11H2,1H3/t16-,19-
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| InChIKey |
ITEOHYCIFGQEBA-RUCARUNLSA-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