General Information of the Compound
| Compound ID |
CP0773062
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| Compound Name |
SID24815970
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| Structure |
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| Formula |
C25H35ClN2O3
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| Molecular Weight |
447.019
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| Canonical SMILES |
COc1ccc(-c2c[n+](CC(=O)OC3CC(C)CCC3C(C)C)c3n2CCC3)cc1.[Cl-]
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| InChI |
InChI=1S/C25H35N2O3.ClH/c1-17(2)21-12-7-18(3)14-23(21)30-25(28)16-26-15-22(27-13-5-6-24(26)27)19-8-10-20(29-4)11-9-19;/h8-11,15,17-18,21,23H,5-7,12-14,16H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
FIVURRSVIOUGBX-UHFFFAOYSA-M
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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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor