General Information of the Compound
| Compound ID |
CP0561188
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| Compound Name |
US9493474, 18A
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| Structure |
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| Formula |
C26H30N6O5S
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| Molecular Weight |
538.63
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| Canonical SMILES |
Cc1cc(ccc1-n1cnnn1)S(=O)(=O)N1CCCC11CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)C1
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| InChI |
InChI=1S/C26H30N6O5S/c1-17-12-19(4-7-23(17)31-16-27-28-29-31)38(35,36)32-10-3-8-26(32)9-11-30(15-26)13-24(33)20-5-6-21-22(18(20)2)14-37-25(21)34/h4-7,12,16,24,33H,3,8-11,13-15H2,1-2H3/t24-,26?/m0/s1
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| InChIKey |
CNRRXBFWZZUFMC-QSAPEBAKSA-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