General Information of the Compound
| Compound ID |
CP0909444
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| Compound Name |
SID131411672
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| Structure |
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| Formula |
C36H46F3N5O5
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| Molecular Weight |
685.788
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)Cc2ccncc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1
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| InChI |
InChI=1S/C36H46F3N5O5/c1-24-20-44(25(2)23-45)34(46)31-19-30(42-35(47)41-29-10-8-28(9-11-29)36(37,38)39)12-13-32(31)49-26(3)7-5-6-18-48-33(24)22-43(4)21-27-14-16-40-17-15-27/h8-17,19,24-26,33,45H,5-7,18,20-23H2,1-4H3,(H2,41,42,47)/t24-,25-,26-,33-/m1/s1
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| InChIKey |
ZKPAWGOFKUDAFA-BWDKEVCWSA-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