General Information of the Compound
| Compound ID |
CP0477100
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| Compound Name |
US10028961, Compound 278
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| Structure |
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| Formula |
C18H23ClN6
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| Molecular Weight |
358.877
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| Canonical SMILES |
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cncc(Cl)c1)C1CC1
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| InChI |
InChI=1S/C18H23ClN6/c1-10(12-3-4-12)21-17-23-16(14-7-15(19)9-20-8-14)24-18(25-17)22-11(2)13-5-6-13/h7-13H,3-6H2,1-2H3,(H2,21,22,23,24,25)/t10-,11-/m1/s1
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| InChIKey |
KKRJUHWKVGWXTJ-GHMZBOCLSA-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