General Information of the Compound
| Compound ID |
CP0867353
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| Compound Name |
SID56462964
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| Structure |
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| Formula |
C22H29N3
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| Molecular Weight |
335.495
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| Canonical SMILES |
Cc1cccc(CCN2C(Nc3ccccc3)=NC[C@@H]2CC(C)C)c1
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| InChI |
InChI=1S/C22H29N3/c1-17(2)14-21-16-23-22(24-20-10-5-4-6-11-20)25(21)13-12-19-9-7-8-18(3)15-19/h4-11,15,17,21H,12-14,16H2,1-3H3,(H,23,24)/t21-/m0/s1
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| InChIKey |
FQFSXHLXVIFTML-NRFANRHFSA-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