General Information of the Compound
| Compound ID |
CP0860959
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| Compound Name |
SID85301986
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| Structure |
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| Formula |
C31H35F3N4O3
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| Molecular Weight |
568.64
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| Canonical SMILES |
CCN(CC)C(=O)[C@H]1CC(CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C
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| InChI |
InChI=1S/C31H35F3N4O3/c1-4-37(5-2)29(41)24-16-20(17-26(39)35-18-19-9-8-10-21(15-19)31(32,33)34)28(40)38-14-13-23-22-11-6-7-12-25(22)36-27(23)30(24,38)3/h6-12,15,20,24,36H,4-5,13-14,16-18H2,1-3H3,(H,35,39)/t20?,24-,30+/m1/s1
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| InChIKey |
QGQCFYIPTMJCCG-MEJHGYOFSA-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