General Information of the Compound
| Compound ID |
CP0895406
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| Compound Name |
SID85268652
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| Structure |
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| Formula |
C23H23ClN4O3S
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| Molecular Weight |
470.982
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| Canonical SMILES |
O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccnc1
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| InChI |
InChI=1S/C23H23ClN4O3S/c24-19-8-2-3-9-20(19)27-32(30,31)22-15-18(26-23(29)17-7-6-12-25-16-17)10-11-21(22)28-13-4-1-5-14-28/h2-3,6-12,15-16,27H,1,4-5,13-14H2,(H,26,29)
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| InChIKey |
JOBNKXJKVKOHOH-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: PT06172, Mothers against decapentaplegic homolog 3