General Information of the Compound
| Compound ID |
CP0469608
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| Compound Name |
US9481682, 146
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| Structure |
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| Formula |
C29H29F3N8O3
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| Molecular Weight |
594.598
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| Canonical SMILES |
Cn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)c(OC3CC3)c2)cc1C(F)(F)F
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| InChI |
InChI=1S/C29H29F3N8O3/c1-38-21(29(30,31)32)13-22(37-38)35-28(42)15-3-8-19(20(12-15)43-18-6-7-18)24-25-26(33)34-10-11-39(25)27(36-24)16-2-4-17-5-9-23(41)40(17)14-16/h3,8,10-13,16-18H,2,4-7,9,14H2,1H3,(H2,33,34)(H,35,37,42)/t16-,17+/m1/s1
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| InChIKey |
UWQCSEUQBWXGMH-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