General Information of the Compound
| Compound ID |
CP0856555
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| Compound Name |
SID85148905
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| Structure |
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| Formula |
C31H31FN2O4
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| Molecular Weight |
514.597
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| Canonical SMILES |
COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C)cc1
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| InChI |
InChI=1S/C31H31FN2O4/c1-20-8-10-21(11-9-20)18-33-31(36)34-24-13-15-27(34)29(30(35)37-2)26(17-24)25-14-12-23(32)16-28(25)38-19-22-6-4-3-5-7-22/h3-12,14,16,24,27H,13,15,17-19H2,1-2H3,(H,33,36)/t24-,27+/m0/s1
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| InChIKey |
FVIZXYBQVUAMQL-RPLLCQBOSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8