General Information of the Compound
| Compound ID |
CP0230973
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| Compound Name |
US10239843, Example 155
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| Structure |
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| Formula |
C18H21N5O4S
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| Molecular Weight |
403.464
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| Canonical SMILES |
Cn1cc(Cn2c(=O)n(C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1
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| InChI |
InChI=1S/C18H21N5O4S/c1-18(6-7-18)20-28(26,27)13-4-5-15-14(8-13)16(24)23(17(25)22(15)3)11-12-9-19-21(2)10-12/h4-5,8-10,20H,6-7,11H2,1-3H3
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| InChIKey |
VQYIPERYJDIKMW-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