General Information of the Compound
| Compound ID |
CP0559270
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| Compound Name |
US9481682, 82
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| Structure |
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| Formula |
C30H29F3N8O4
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| Molecular Weight |
622.608
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| Canonical SMILES |
COC(=O)CN1C[C@@H]2CC[C@H](CN2C(=O)C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C30H29F3N8O4/c1-45-24(43)16-39-14-21-7-6-19(13-41(21)23(42)15-39)28-38-25(26-27(34)36-10-11-40(26)28)17-2-4-18(5-3-17)29(44)37-22-12-20(8-9-35-22)30(31,32)33/h2-5,8-12,19,21H,6-7,13-16H2,1H3,(H2,34,36)(H,35,37,44)/t19-,21+/m1/s1
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| InChIKey |
PBVLPLGAYNOGCF-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