General Information of the Compound
| Compound ID |
CP0959831
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| Compound Name |
US8653100, 51
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| Structure |
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| Formula |
C25H29ClN4O3S
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| Molecular Weight |
501.052
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| Canonical SMILES |
Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)C(C2(c4ccc(Cl)cc4)CCC2)NCC3)c1
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| InChI |
InChI=1S/C25H29ClN4O3S/c1-30-16-23(28-17-30)34(31,32)29-13-14-33-21-8-3-18-9-12-27-24(22(18)15-21)25(10-2-11-25)19-4-6-20(26)7-5-19/h3-8,15-17,24,27,29H,2,9-14H2,1H3
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| InChIKey |
MWPOLMZMMCYAMO-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