General Information of the Compound
| Compound ID |
CP0909180
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| Compound Name |
SID121284950
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| Structure |
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| Formula |
C30H31N7O3
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| Molecular Weight |
537.624
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| Canonical SMILES |
Oc1nc2ccccc2n1C1CCN(C(CCc2ccccc2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1
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| InChI |
InChI=1S/C30H31N7O3/c38-30-31-24-8-4-5-9-25(24)36(30)22-14-16-35(17-15-22)26(12-10-21-6-2-1-3-7-21)29-32-33-34-37(29)23-11-13-27-28(20-23)40-19-18-39-27/h1-9,11,13,20,22,26H,10,12,14-19H2,(H,31,38)
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| InChIKey |
ZEYXPAMFFONSNY-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