General Information of the Compound
| Compound ID |
CP0912913
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| Compound Name |
SID131460784
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| Structure |
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| Formula |
C28H27FN2O3S
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| Molecular Weight |
490.6
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| Canonical SMILES |
Cc1cccc(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/C28H27FN2O3S/c1-19-4-3-5-23(16-19)35(33,34)31-15-14-24-27(18-32)30(2)26-13-10-21(17-25(26)28(24)31)7-6-20-8-11-22(29)12-9-20/h3-5,8-13,16-17,24,27-28,32H,14-15,18H2,1-2H3/t24-,27+,28-/m1/s1
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| InChIKey |
DJMZVAVOQKZKKL-FQLPYIGMSA-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