General Information of the Compound
| Compound ID |
CP0941652
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| Compound Name |
SID121284957
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| Structure |
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| Formula |
C32H29N7O3
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| Molecular Weight |
559.63
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| Canonical SMILES |
Oc1nc2ccccc2n1C1CCN(C(c2cccc3ccccc23)c2nnnn2-c2ccc3c(c2)OCCO3)CC1
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| InChI |
InChI=1S/C32H29N7O3/c40-32-33-26-10-3-4-11-27(26)38(32)22-14-16-37(17-15-22)30(25-9-5-7-21-6-1-2-8-24(21)25)31-34-35-36-39(31)23-12-13-28-29(20-23)42-19-18-41-28/h1-13,20,22,30H,14-19H2,(H,33,40)
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| InChIKey |
QHNYUWGJICBJJR-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