General Information of the Compound
| Compound ID |
CP0923551
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| Compound Name |
SID121285000
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| Structure |
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| Formula |
C24H29N7OS
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| Molecular Weight |
463.611
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| Canonical SMILES |
Oc1nc2ccccc2n1C1CCN(C(c2cccs2)c2nnnn2C2CCCCC2)CC1
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| InChI |
InChI=1S/C24H29N7OS/c32-24-25-19-9-4-5-10-20(19)30(24)17-12-14-29(15-13-17)22(21-11-6-16-33-21)23-26-27-28-31(23)18-7-2-1-3-8-18/h4-6,9-11,16-18,22H,1-3,7-8,12-15H2,(H,25,32)
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| InChIKey |
LDWGMXUDPWUWKX-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