General Information of the Compound
| Compound ID |
CP0473722
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| Compound Name |
US10028961, Compound 73
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| Structure |
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| Formula |
C18H29N7
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| Molecular Weight |
343.479
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| Canonical SMILES |
CC(C)(C)CNc1nc(NCC(C)(C)C)nc(n1)-c1cccc(N)n1
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| InChI |
InChI=1S/C18H29N7/c1-17(2,3)10-20-15-23-14(12-8-7-9-13(19)22-12)24-16(25-15)21-11-18(4,5)6/h7-9H,10-11H2,1-6H3,(H2,19,22)(H2,20,21,23,24,25)
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| InChIKey |
WSBQTNQHIJTYLI-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: PT03648, Isocitrate dehydrogenase [NADP], mitochondrial