General Information of the Compound
| Compound ID |
CP0556999
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| Compound Name |
US9206173, 2438
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| Structure |
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| Formula |
C30H26F3N5O3
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| Molecular Weight |
561.564
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| Canonical SMILES |
C[C@H](Nc1nc2CCN(Cc2c(=O)n1CCC#C)C(=O)c1ccc(cc1)-c1cnco1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H26F3N5O3/c1-3-4-14-38-28(40)24-17-37(27(39)22-7-5-21(6-8-22)26-16-34-18-41-26)15-13-25(24)36-29(38)35-19(2)20-9-11-23(12-10-20)30(31,32)33/h1,5-12,16,18-19H,4,13-15,17H2,2H3,(H,35,36)/t19-/m0/s1
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| InChIKey |
JRWFUPTWOZWCKM-IBGZPJMESA-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