General Information of the Compound
| Compound ID |
CP0492996
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| Compound Name |
US9481682, 189
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| Structure |
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| Formula |
C27H26ClF3N8O3
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| Molecular Weight |
603.005
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| Canonical SMILES |
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F
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| InChI |
InChI=1S/C27H26ClF3N8O3/c1-37-18(27(29,30)31)10-20(36-37)34-26(41)13-4-7-16(17(9-13)42-2)22-23-24(32)33-11-19(28)39(23)25(35-22)14-3-5-15-6-8-21(40)38(15)12-14/h4,7,9-11,14-15H,3,5-6,8,12H2,1-2H3,(H2,32,33)(H,34,36,41)/t14-,15+/m1/s1
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| InChIKey |
IMURRCAPLRSNLB-CABCVRRESA-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