General Information of the Compound
| Compound ID |
CP0859493
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| Compound Name |
SID121285115
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| Structure |
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| Formula |
C29H34N6
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| Molecular Weight |
466.633
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| Canonical SMILES |
CCCCn1nnnc1C(c1cccc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1
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| InChI |
InChI=1S/C29H34N6/c1-2-3-19-35-29(30-31-32-35)28(27-17-9-15-25-14-7-8-16-26(25)27)34-22-20-33(21-23-34)18-10-13-24-11-5-4-6-12-24/h4-17,28H,2-3,18-23H2,1H3/b13-10+
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| InChIKey |
RQYUKCSCJQZQSJ-JLHYYAGUSA-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: PT06172, Mothers against decapentaplegic homolog 3