General Information of the Compound
| Compound ID |
CP0908871
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| Compound Name |
SID103073666
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| Structure |
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| Formula |
C25H23Cl2N3O3
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| Molecular Weight |
484.383
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| Canonical SMILES |
CCc1nc2c(OCc3cc(Cl)cc(Cl)c3)cccn2c1N(C)C(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C25H23Cl2N3O3/c1-4-21-24(29(2)25(31)17-7-9-20(32-3)10-8-17)30-11-5-6-22(23(30)28-21)33-15-16-12-18(26)14-19(27)13-16/h5-14H,4,15H2,1-3H3
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| InChIKey |
IKWXRRPNXDWOEI-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