General Information of the Compound
| Compound ID |
CP0563320
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| Compound Name |
US9446130, 14
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| Structure |
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| Formula |
C27H24F3N9O
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| Molecular Weight |
547.545
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| Canonical SMILES |
CCn1cc2[C@H](CCCc2n1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
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| InChI |
InChI=1S/C27H24F3N9O/c1-2-38-13-18-19(36-38)4-3-5-20(18)39-25-22(24(31)33-14-34-25)23(37-39)15-6-8-16(9-7-15)26(40)35-21-12-17(10-11-32-21)27(28,29)30/h6-14,20H,2-5H2,1H3,(H2,31,33,34)(H,32,35,40)/t20-/m0/s1
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| InChIKey |
ORZQDEWPYPOOKO-FQEVSTJZSA-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