General Information of the Compound
| Compound ID |
CP0413155
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| Compound Name |
US9481682, 141
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| Structure |
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| Formula |
C32H32F3N7O3
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| Molecular Weight |
619.648
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3OC3CCCC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C32H32F3N7O3/c33-32(34,35)20-11-12-37-25(16-20)39-31(44)18-6-9-23(24(15-18)45-22-3-1-2-4-22)27-28-29(36)38-13-14-41(28)30(40-27)19-5-7-21-8-10-26(43)42(21)17-19/h6,9,11-16,19,21-22H,1-5,7-8,10,17H2,(H2,36,38)(H,37,39,44)/t19-,21+/m1/s1
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| InChIKey |
JXRJPVSRHVBMTF-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