General Information of the Compound
| Compound ID |
CP0428814
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| Compound Name |
US9481682, 43
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| Structure |
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| Formula |
C29H28FN7O3
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| Molecular Weight |
541.587
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(OC4CC4)ccn3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C29H28FN7O3/c30-22-13-16(29(39)34-23-14-20(9-10-32-23)40-19-5-6-19)2-7-21(22)25-26-27(31)33-11-12-36(26)28(35-25)17-1-3-18-4-8-24(38)37(18)15-17/h2,7,9-14,17-19H,1,3-6,8,15H2,(H2,31,33)(H,32,34,39)/t17-,18+/m1/s1
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| InChIKey |
RRVKCPQCTDDVND-MSOLQXFVSA-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