General Information of the Compound
| Compound ID |
CP0836256
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| Compound Name |
SID24818823
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| Structure |
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| Formula |
C22H18Cl2FN3O2
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| Molecular Weight |
446.309
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| Canonical SMILES |
O=C(c1c[nH]c(C(=O)N2CCN(c3ccccc3F)CC2)c1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C22H18Cl2FN3O2/c23-16-5-3-4-15(20(16)24)21(29)14-12-18(26-13-14)22(30)28-10-8-27(9-11-28)19-7-2-1-6-17(19)25/h1-7,12-13,26H,8-11H2
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| InChIKey |
YVUVBOWZKDSKHW-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