General Information of the Compound
| Compound ID |
CP0525031
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| Compound Name |
CHEMBL240909
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| Formula |
C26H32F3N5O2S
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| Molecular Weight |
535.636
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| Canonical SMILES |
Cc1ccc(cn1)S(=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/C26H32F3N5O2S/c1-19-2-7-25(18-31-19)37(35,36)32-23-5-3-20(4-6-23)8-9-33-10-12-34(13-11-33)24-15-21(17-30)14-22(16-24)26(27,28)29/h2,7,14-16,18,20,23,32H,3-6,8-13H2,1H3/t20-,23-
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| InChIKey |
PCIZAOBILWCZLZ-JKIUYZKVSA-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