General Information of the Compound
| Compound ID |
CP0961321
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| Compound Name |
SID85148527
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| Structure |
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| Formula |
C29H26F4N2O4
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| Molecular Weight |
542.529
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| Canonical SMILES |
COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cc(C)oc1C(F)(F)F
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| InChI |
InChI=1S/C29H26F4N2O4/c1-16-12-19(26(39-16)29(31,32)33)15-34-28(37)35-20-9-11-24(35)25(27(36)38-2)22(14-20)18-8-10-21(23(30)13-18)17-6-4-3-5-7-17/h3-8,10,12-13,20,24H,9,11,14-15H2,1-2H3,(H,34,37)/t20-,24+/m0/s1
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| InChIKey |
DMTGVOGZAGKXIJ-GBXCKJPGSA-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