General Information of the Compound
| Compound ID |
CP0576538
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| Compound Name |
CHEMBL5179088
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| Formula |
C26H30F3N7O5S
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| Molecular Weight |
609.631
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| Canonical SMILES |
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@](C)(O)CC3)c2n1
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| InChI |
InChI=1S/C26H30F3N7O5S/c1-13(26(27,28)29)35-12-15-10-14(11-18(19(15)24(35)38)42(40,41)31-3)17-6-9-36-22(33-17)20(21(30)34-36)23(37)32-16-4-7-25(2,39)8-5-16/h6,9-11,13,16,31,39H,4-5,7-8,12H2,1-3H3,(H2,30,34)(H,32,37)/t13-,16-,25-/m0/s1
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| InChIKey |
YSZZVAGVGORHTO-VAZLSXMYSA-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