General Information of the Compound
| Compound ID |
CP0954020
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| Compound Name |
SID4261783
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| Structure |
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| Formula |
C23H22ClN3O3
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| Molecular Weight |
423.9
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| Canonical SMILES |
Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1
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| InChI |
InChI=1S/C23H22ClN3O3/c1-16-5-2-3-6-18(16)23(29)27-12-10-26(11-13-27)20-9-8-17(15-19(20)24)25-22(28)21-7-4-14-30-21/h2-9,14-15H,10-13H2,1H3,(H,25,28)
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| InChIKey |
INJJAXLTRFIHLC-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