General Information of the Compound
| Compound ID |
CP0854085
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| Compound Name |
SID49648805
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| Structure |
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| Formula |
C22H26N2O2
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| Molecular Weight |
350.462
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| Canonical SMILES |
Cc1cc2oc3ccc(NCCC4CCCN4C)cc3c(=O)c2cc1C
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| InChI |
InChI=1S/C22H26N2O2/c1-14-11-18-21(12-15(14)2)26-20-7-6-16(13-19(20)22(18)25)23-9-8-17-5-4-10-24(17)3/h6-7,11-13,17,23H,4-5,8-10H2,1-3H3
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| InChIKey |
PTGLKKAYOKIELG-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: PT06033, Microphthalmia-associated transcription factor