General Information of the Compound
| Compound ID |
CP0577868
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| Compound Name |
US9481682, 149
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| Structure |
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| Formula |
C29H30F3N9O3
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| Molecular Weight |
609.613
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| Canonical SMILES |
Cn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)c(OC3CNC3)c2)cc1C(F)(F)F
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| InChI |
InChI=1S/C29H30F3N9O3/c1-39-21(29(30,31)32)11-22(38-39)36-28(43)15-3-6-19(20(10-15)44-18-12-34-13-18)24-25-26(33)35-8-9-40(25)27(37-24)16-2-4-17-5-7-23(42)41(17)14-16/h3,6,8-11,16-18,34H,2,4-5,7,12-14H2,1H3,(H2,33,35)(H,36,38,43)/t16-,17+/m1/s1
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| InChIKey |
JJUZLYKAJBZXPN-SJORKVTESA-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