General Information of the Compound
| Compound ID |
CP0852864
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| Compound Name |
SID50085535
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| Structure |
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| Formula |
C23H26N2O3
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| Molecular Weight |
378.472
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| Canonical SMILES |
COc1cc2c(cc1OC)C(C)N(C(=O)c1cc3c(C)cc(C)cc3[nH]1)CC2
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| InChI |
InChI=1S/C23H26N2O3/c1-13-8-14(2)17-11-20(24-19(17)9-13)23(26)25-7-6-16-10-21(27-4)22(28-5)12-18(16)15(25)3/h8-12,15,24H,6-7H2,1-5H3
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| InChIKey |
WWLIQTOJVUZXQC-UHFFFAOYSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3