General Information of the Compound
| Compound ID |
CP0892939
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| Compound Name |
SID85803792
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| Structure |
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| Formula |
C31H36F3N5O4
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| Molecular Weight |
599.654
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O
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| InChI |
InChI=1S/C31H36F3N5O4/c1-20-16-39(21(2)19-40)29(41)15-23-14-26(37-30(42)36-25-6-4-24(5-7-25)31(32,33)34)8-9-27(23)43-28(20)18-38(3)17-22-10-12-35-13-11-22/h4-14,20-21,28,40H,15-19H2,1-3H3,(H2,36,37,42)/t20-,21+,28+/m0/s1
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| InChIKey |
AGQRDMGTSVKJPI-BALWLHIASA-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