General Information of the Compound
| Compound ID |
CP0747154
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| Compound Name |
SID856251
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| Structure |
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| Formula |
C28H37ClN2O4
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| Molecular Weight |
501.067
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| Canonical SMILES |
Cl.O=C(c1ccccc1)C(CCC(CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1
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| InChI |
InChI=1S/C28H36N2O4.ClH/c31-27(23-7-3-1-4-8-23)25(21-29-13-17-33-18-14-29)11-12-26(22-30-15-19-34-20-16-30)28(32)24-9-5-2-6-10-24;/h1-10,25-26H,11-22H2;1H
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| InChIKey |
JZMVFJHVZGXGFM-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1