General Information of the Compound
| Compound ID |
CP0575709
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| Compound Name |
US8754099, 21
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| Structure |
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| Formula |
C28H28FN7O2
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| Molecular Weight |
513.577
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| Canonical SMILES |
Cc1nnc(o1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)c(C)n1)C1CCCCO1
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| InChI |
InChI=1S/C28H28FN7O2/c1-15-19(29)10-11-21(31-15)23-14-30-26(33-23)22-13-18-17-7-3-4-8-20(17)32-25(18)28(34-22,24-9-5-6-12-37-24)27-36-35-16(2)38-27/h3-4,7-8,10-11,14,22,24,32,34H,5-6,9,12-13H2,1-2H3,(H,30,33)/t22-,24?,28?/m1/s1
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| InChIKey |
JHBLCTYNEYZOPF-LBOQJQFVSA-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