General Information of the Compound
| Compound ID |
CP0484643
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| Compound Name |
US9598415, 22
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| Structure |
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| Formula |
C27H32N8O4S
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| Molecular Weight |
564.672
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| Canonical SMILES |
CCC[C@@H](C)n1c2nc(ncc2nc(NCc2ccc(cn2)S(=O)(=O)CC)c1=O)-c1c(OC)ncnc1C1CC1
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| InChI |
InChI=1S/C27H32N8O4S/c1-5-7-16(3)35-25-20(14-30-23(34-25)21-22(17-8-9-17)31-15-32-26(21)39-4)33-24(27(35)36)29-12-18-10-11-19(13-28-18)40(37,38)6-2/h10-11,13-17H,5-9,12H2,1-4H3,(H,29,33)/t16-/m1/s1
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| InChIKey |
ZVGRJZNOZHYTFO-MRXNPFEDSA-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