General Information of the Compound
| Compound ID |
CP0907488
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| Compound Name |
SID57258776
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| Structure |
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| Formula |
C25H27ClN2O3
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| Molecular Weight |
438.955
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| Canonical SMILES |
O=C(NCC(c1ccco1)N1CCCCC1)c1ccc(COc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C25H27ClN2O3/c26-21-10-12-22(13-11-21)31-18-19-6-8-20(9-7-19)25(29)27-17-23(24-5-4-16-30-24)28-14-2-1-3-15-28/h4-13,16,23H,1-3,14-15,17-18H2,(H,27,29)
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| InChIKey |
QHIVLRLOQJFRMW-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: PT06172, Mothers against decapentaplegic homolog 3