General Information of the Compound
| Compound ID |
CP0834445
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| Compound Name |
SID858389
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| Formula |
C21H21N5
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| Molecular Weight |
343.434
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| Canonical SMILES |
c1ccc(CN2CCN(c3[nH]cnc4c5ccccc5nc3-4)CC2)cc1
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| InChI |
InChI=1S/C21H21N5/c1-2-6-16(7-3-1)14-25-10-12-26(13-11-25)21-20-19(22-15-23-21)17-8-4-5-9-18(17)24-20/h1-9,15H,10-14H2,(H,22,23)
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| InChIKey |
UILZCCJLRLXUJJ-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: PT06101, Latent membrane protein 1