General Information of the Compound
| Compound ID |
CP0857038
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| Compound Name |
SID121284983
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| Structure |
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| Formula |
C29H31N7O
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| Molecular Weight |
493.615
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| Canonical SMILES |
Oc1nc2ccccc2n1C1CCN(C(CCc2ccccc2)c2nnnn2Cc2ccccc2)CC1
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| InChI |
InChI=1S/C29H31N7O/c37-29-30-25-13-7-8-14-26(25)36(29)24-17-19-34(20-18-24)27(16-15-22-9-3-1-4-10-22)28-31-32-33-35(28)21-23-11-5-2-6-12-23/h1-14,24,27H,15-21H2,(H,30,37)
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| InChIKey |
SEWNDJCITNTHMW-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8