General Information of the Compound
| Compound ID |
CP0887505
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| Compound Name |
SID121285447
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| Structure |
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| Formula |
C27H27N7O3S
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| Molecular Weight |
529.626
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| Canonical SMILES |
O=C1NCN(c2ccccc2)C12CCN(C(c1cccs1)c1nnnn1-c1ccc3c(c1)OCCO3)CC2
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| InChI |
InChI=1S/C27H27N7O3S/c35-26-27(33(18-28-26)19-5-2-1-3-6-19)10-12-32(13-11-27)24(23-7-4-16-38-23)25-29-30-31-34(25)20-8-9-21-22(17-20)37-15-14-36-21/h1-9,16-17,24H,10-15,18H2,(H,28,35)
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| InChIKey |
VUJNCNZUOLQQPV-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: PT06172, Mothers against decapentaplegic homolog 3