General Information of the Compound
| Compound ID |
CP0879604
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| Compound Name |
SID92764824
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| Formula |
C23H29ClN4O
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| Molecular Weight |
412.965
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| Canonical SMILES |
CCN(CC)CCCNc1[nH]c2ccccc2c2nc3ccc(OC)cc3c1-2.Cl
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| InChI |
InChI=1S/C23H28N4O.ClH/c1-4-27(5-2)14-8-13-24-23-21-18-15-16(28-3)11-12-20(18)25-22(21)17-9-6-7-10-19(17)26-23;/h6-7,9-12,15,24,26H,4-5,8,13-14H2,1-3H3;1H
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| InChIKey |
PECPEZMGNAAPGL-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: PT06124, Paired box protein Pax-8