General Information of the Compound
| Compound ID |
CP0405012
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| Compound Name |
US9481682, 218
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| Structure |
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| Formula |
C28H24Cl2F3N7O3
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| Molecular Weight |
634.446
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| Canonical SMILES |
COc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(Cl)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12
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| InChI |
InChI=1S/C28H24Cl2F3N7O3/c1-43-19-10-16(27(42)37-21-8-14(6-7-35-21)28(31,32)33)18(29)9-17(19)23-24-25(34)36-11-20(30)40(24)26(38-23)13-2-3-15-4-5-22(41)39(15)12-13/h6-11,13,15H,2-5,12H2,1H3,(H2,34,36)(H,35,37,42)/t13-,15+/m1/s1
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| InChIKey |
JNSDUNLOLSPFLV-HIFRSBDPSA-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