General Information of the Compound
| Compound ID |
CP0883180
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| Compound Name |
SID131462553
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| Structure |
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| Formula |
C27H33FN2O3S
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| Molecular Weight |
484.637
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| Canonical SMILES |
CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@H]23)cc1
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| InChI |
InChI=1S/C27H33FN2O3S/c1-20(2)6-5-7-21-8-10-22(11-9-21)27-25-18-29(16-3-4-17-30(25)26(27)19-31)34(32,33)24-14-12-23(28)13-15-24/h8-15,20,25-27,31H,3-4,6,16-19H2,1-2H3/t25-,26-,27+/m1/s1
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| InChIKey |
TUUMOUKTABXYBR-PFBJBMPXSA-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