General Information of the Compound
| Compound ID |
CP0492949
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| Compound Name |
US9481682, 61
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| Structure |
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| Formula |
C30H29F3N8O3
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| Molecular Weight |
606.609
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| Canonical SMILES |
CCNC(=O)Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C30H29F3N8O3/c1-2-34-29(44)39-26-25-24(38-27(40(25)14-13-36-26)19-7-8-21-9-10-23(42)41(21)16-19)17-3-5-18(6-4-17)28(43)37-22-15-20(11-12-35-22)30(31,32)33/h3-6,11-15,19,21H,2,7-10,16H2,1H3,(H,35,37,43)(H2,34,36,39,44)/t19-,21+/m1/s1
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| InChIKey |
UQQWJUSKIOTBCE-CTNGQTDRSA-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