General Information of the Compound
| Compound ID |
CP0384036
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| Compound Name |
US9481682, 145
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| Structure |
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| Formula |
C29H28ClF3N8O3
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| Molecular Weight |
629.043
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| Canonical SMILES |
Cn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4c(Cl)cnc(N)c34)c(OC3CC3)c2)cc1C(F)(F)F
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| InChI |
InChI=1S/C29H28ClF3N8O3/c1-39-20(29(31,32)33)11-22(38-39)36-28(43)14-3-8-18(19(10-14)44-17-6-7-17)24-25-26(34)35-12-21(30)41(25)27(37-24)15-2-4-16-5-9-23(42)40(16)13-15/h3,8,10-12,15-17H,2,4-7,9,13H2,1H3,(H2,34,35)(H,36,38,43)/t15-,16+/m1/s1
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| InChIKey |
KXCAPIFJVNJSOT-CVEARBPZSA-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