General Information of the Compound
| Compound ID |
CP0529232
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| Compound Name |
US8940771, 59
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| Structure |
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| Formula |
C19H21F2N5O2S
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| Molecular Weight |
421.473
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| Canonical SMILES |
Cc1nc(NC(=O)N2CC(F)(F)C[C@H]2C(N)=O)sc1-c1ccnc(c1)C1(C)CC1
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| InChI |
InChI=1S/C19H21F2N5O2S/c1-10-14(11-3-6-23-13(7-11)18(2)4-5-18)29-16(24-10)25-17(28)26-9-19(20,21)8-12(26)15(22)27/h3,6-7,12H,4-5,8-9H2,1-2H3,(H2,22,27)(H,24,25,28)/t12-/m0/s1
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| InChIKey |
RZRTVDJHTRHMMH-LBPRGKRZSA-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