General Information of the Compound
| Compound ID |
CP0902480
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| Compound Name |
SID131461003
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| Structure |
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| Formula |
C28H27FN2O4S
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| Molecular Weight |
506.599
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| Canonical SMILES |
COc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(C#Cc5ccc(F)cc5)cc4[C@H]32)c1
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| InChI |
InChI=1S/C28H27FN2O4S/c1-30-26-13-10-20(7-6-19-8-11-21(29)12-9-19)16-25(26)28-24(27(30)18-32)14-15-31(28)36(33,34)23-5-3-4-22(17-23)35-2/h3-5,8-13,16-17,24,27-28,32H,14-15,18H2,1-2H3/t24-,27+,28-/m0/s1
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| InChIKey |
DFRGSEDQEZLEOC-VCTRFXNDSA-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