General Information of the Compound
| Compound ID |
CP0880917
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| Compound Name |
SID99205795
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| Structure |
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| Formula |
C22H26ClN3O3
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| Molecular Weight |
415.921
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| Canonical SMILES |
COc1ccc(N(C(=O)CCl)C(C(=O)NC2CCCCC2)c2cccnc2)cc1
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| InChI |
InChI=1S/C22H26ClN3O3/c1-29-19-11-9-18(10-12-19)26(20(27)14-23)21(16-6-5-13-24-15-16)22(28)25-17-7-3-2-4-8-17/h5-6,9-13,15,17,21H,2-4,7-8,14H2,1H3,(H,25,28)
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| InChIKey |
NIVDDIMEGJOZQH-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
Protein ID: PT06124, Paired box protein Pax-8