General Information of the Compound
| Compound ID |
CP0402754
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| Compound Name |
US9481682, 200
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| Structure |
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| Formula |
C29H28F3N7O4
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| Molecular Weight |
595.582
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3OCCO)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C29H28F3N7O4/c30-29(31,32)18-7-8-34-22(14-18)36-28(42)16-2-5-20(21(13-16)43-12-11-40)24-25-26(33)35-9-10-38(25)27(37-24)17-1-3-19-4-6-23(41)39(19)15-17/h2,5,7-10,13-14,17,19,40H,1,3-4,6,11-12,15H2,(H2,33,35)(H,34,36,42)/t17-,19+/m1/s1
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| InChIKey |
HPFOHKVTBKUHDJ-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