General Information of the Compound
| Compound ID |
CP0355611
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| Compound Name |
US10087188, Example 13
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| Structure |
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| Formula |
C25H21F3N6O3
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| Molecular Weight |
510.476
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H](C1)C(O)=O
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| InChI |
InChI=1S/C25H21F3N6O3/c26-25(27,28)17-7-8-30-18(12-17)32-23(35)14-3-1-13(2-4-14)19-20-21(29)31-9-10-34(20)22(33-19)15-5-6-16(11-15)24(36)37/h1-4,7-10,12,15-16H,5-6,11H2,(H2,29,31)(H,36,37)(H,30,32,35)/t15-,16+/m1/s1
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| InChIKey |
IBIYTZIJGUPNIQ-CVEARBPZSA-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