General Information of the Compound
| Compound ID |
CP0405669
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| Compound Name |
US10028961, Compound 279
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| Structure |
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| Formula |
C16H22IN7
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| Molecular Weight |
439.305
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| Canonical SMILES |
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-n1cc(I)cn1)C1CC1
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| InChI |
InChI=1S/C16H22IN7/c1-9(11-3-4-11)19-14-21-15(20-10(2)12-5-6-12)23-16(22-14)24-8-13(17)7-18-24/h7-12H,3-6H2,1-2H3,(H2,19,20,21,22,23)/t9-,10-/m1/s1
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| InChIKey |
XKHRDUPMIXLGTD-NXEZZACHSA-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