General Information of the Compound
| Compound ID |
CP0477063
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| Compound Name |
CHEMBL4582928
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| Formula |
C24H30FN3O4S
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| Molecular Weight |
475.586
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| Canonical SMILES |
CC1(C)C[C@@]2(CO1)CC[C@@H](CC2)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C24H30FN3O4S/c1-23(2)13-24(14-31-23)9-6-16(7-10-24)32-22-18-8-11-28(21(18)26-15-27-22)20-5-4-17(12-19(20)25)33(3,29)30/h4-5,12,15-16H,6-11,13-14H2,1-3H3/t16-,24+
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| InChIKey |
QRGCXKJLRMBIMG-ONEIWYMKSA-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