General Information of the Compound
| Compound ID |
CP0555555
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| Compound Name |
US8754099, 20
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| Structure |
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| Formula |
C27H26FN7O2
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| Molecular Weight |
499.55
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| Canonical SMILES |
Cc1nnc(o1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)c(C)n1)C1CCCO1
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| InChI |
InChI=1S/C27H26FN7O2/c1-14-18(28)9-10-20(30-14)22-13-29-25(32-22)21-12-17-16-6-3-4-7-19(16)31-24(17)27(33-21,23-8-5-11-36-23)26-35-34-15(2)37-26/h3-4,6-7,9-10,13,21,23,31,33H,5,8,11-12H2,1-2H3,(H,29,32)/t21-,23?,27?/m1/s1
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| InChIKey |
WOVWSFKNIFKOFZ-ACRQWNCLSA-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