General Information of the Compound
| Compound ID |
CP0844764
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| Compound Name |
SID49714093
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| Structure |
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| Formula |
C27H40N4O2
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| Molecular Weight |
452.643
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| Canonical SMILES |
Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCCC(C)C3)CC2)c(C)o1
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| InChI |
InChI=1S/C27H40N4O2/c1-20-8-6-14-30(18-20)15-7-13-28-26(32)23-11-16-31(17-12-23)19-25-22(3)33-27(29-25)24-10-5-4-9-21(24)2/h4-5,9-10,20,23H,6-8,11-19H2,1-3H3,(H,28,32)
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| InChIKey |
NFJVAOPWLITBOJ-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