General Information of the Compound
| Compound ID |
CP0463208
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| Compound Name |
US9206173, 2449
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| Structure |
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| Formula |
C30H26F3N5O2
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| Molecular Weight |
545.565
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| Canonical SMILES |
CC#CCn1c(N[C@@H](C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc2ccccc2n1
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| InChI |
InChI=1S/C30H26F3N5O2/c1-3-4-16-38-27(39)23-18-37(28(40)26-14-11-21-7-5-6-8-24(21)35-26)17-15-25(23)36-29(38)34-19(2)20-9-12-22(13-10-20)30(31,32)33/h5-14,19H,15-18H2,1-2H3,(H,34,36)/t19-/m0/s1
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| InChIKey |
SFYFPOUJZVTQOB-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