General Information of the Compound
| Compound ID |
CP0875003
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| Compound Name |
SID85813713
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| Structure |
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| Formula |
C37H46F3N5O5
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| Molecular Weight |
697.799
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C37H46F3N5O5/c1-24-20-45(25(2)23-46)36(49)29-19-28(42-34(47)11-5-4-6-12-35(48)43-31-10-8-7-9-30(31)41)17-18-32(29)50-33(24)22-44(3)21-26-13-15-27(16-14-26)37(38,39)40/h7-10,13-19,24-25,33,46H,4-6,11-12,20-23,41H2,1-3H3,(H,42,47)(H,43,48)/t24-,25-,33-/m1/s1
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| InChIKey |
IMOPPOUSPRBUCB-WTBTXGFSSA-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