General Information of the Compound
| Compound ID |
CP0886462
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| Compound Name |
SID144190809
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| Structure |
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| Formula |
C31H33FN4O5S
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| Molecular Weight |
592.693
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| Canonical SMILES |
COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CCN(S(=O)(=O)c2cccc(C)c2)CC1
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| InChI |
InChI=1S/C31H33FN4O5S/c1-20-5-3-8-24(15-20)42(39,40)35-13-11-31(12-14-35)19-36(30(38)33-22-7-4-6-21(32)16-22)27(18-37)29-28(31)25-10-9-23(41-2)17-26(25)34-29/h3-10,15-17,27,34,37H,11-14,18-19H2,1-2H3,(H,33,38)/t27-/m0/s1
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| InChIKey |
LFOOAYMMTLFPQJ-MHZLTWQESA-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