General Information of the Compound
| Compound ID |
CP0414274
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| Compound Name |
US9206173, 2417
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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)c1ccc2cccnc2c1
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| InChI |
InChI=1S/C30H26F3N5O2/c1-3-4-15-38-28(40)24-18-37(27(39)22-8-7-21-6-5-14-34-26(21)17-22)16-13-25(24)36-29(38)35-19(2)20-9-11-23(12-10-20)30(31,32)33/h5-12,14,17,19H,13,15-16,18H2,1-2H3,(H,35,36)/t19-/m0/s1
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| InChIKey |
VFLQFQQOOMTJOP-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