General Information of the Compound
| Compound ID |
CP0563322
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| Compound Name |
US9481682, 96
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| Structure |
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| Formula |
C27H25F3N8O2
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| Molecular Weight |
550.545
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| Canonical SMILES |
C[C@@H]1OC(=N)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C27H25F3N8O2/c1-14-19-7-6-17(13-38(19)26(32)40-14)24-36-21(22-23(31)34-10-11-37(22)24)15-2-4-16(5-3-15)25(39)35-20-12-18(8-9-33-20)27(28,29)30/h2-5,8-12,14,17,19,32H,6-7,13H2,1H3,(H2,31,34)(H,33,35,39)/t14-,17+,19-/m0/s1
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| InChIKey |
HMAHMARFDHRZGC-YJLNNSPDSA-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