General Information of the Compound
| Compound ID |
CP0669270
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| Compound Name |
SID24841640
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| Structure |
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| Formula |
C29H35F3N2O4
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| Molecular Weight |
532.603
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| Canonical SMILES |
CCO[C@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO
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| InChI |
InChI=1S/C29H35F3N2O4/c1-2-37-28-24(9-6-18-35)25(22-10-12-23(13-11-22)29(30,31)32)19-26(38-28)27(36)34-16-14-33(15-17-34)20-21-7-4-3-5-8-21/h3-5,7-8,10-13,19,24-25,28,35H,2,6,9,14-18,20H2,1H3/t24-,25-,28-/m0/s1
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| InChIKey |
RKTAVQJMPBYOOQ-VBOOUTDYSA-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