General Information of the Compound
| Compound ID |
CP0949816
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| Compound Name |
SID85148538
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| Structure |
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| Formula |
C23H27F3N2O4
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| Molecular Weight |
452.473
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| Canonical SMILES |
COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1
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| InChI |
InChI=1S/C23H27F3N2O4/c1-14-9-11-27(12-10-14)22(30)28-16-5-8-19(28)20(21(29)31-2)18(13-16)15-3-6-17(7-4-15)32-23(24,25)26/h3-4,6-7,14,16,19H,5,8-13H2,1-2H3/t16-,19+/m0/s1
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| InChIKey |
NGFCQVBAFWNRNY-QFBILLFUSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3