General Information of the Compound
| Compound ID |
CP0492955
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| Compound Name |
US9481682, 100
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| Structure |
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| Formula |
C30H30F3N7O3
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| Molecular Weight |
593.61
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| Canonical SMILES |
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C30H30F3N7O3/c1-29(2)14-19-6-4-17(15-40(19)28(29)42)26-38-23(24-25(34)36-10-11-39(24)26)20-7-5-16(12-21(20)43-3)27(41)37-22-13-18(8-9-35-22)30(31,32)33/h5,7-13,17,19H,4,6,14-15H2,1-3H3,(H2,34,36)(H,35,37,41)/t17-,19+/m1/s1
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| InChIKey |
YFCHBNVHJQLUKD-MJGOQNOKSA-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