General Information of the Compound
| Compound ID |
CP0561613
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| Compound Name |
US9346786, 21
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| Structure |
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| Formula |
C31H31ClFN5O3
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| Molecular Weight |
576.072
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C31H31ClFN5O3/c1-2-38(31(40)41-26-10-8-25(33)9-11-26)28-20-37(19-27(28)22-4-6-24(32)7-5-22)30(39)23-13-15-36(16-14-23)29-12-3-21(17-34)18-35-29/h3-12,18,23,27-28H,2,13-16,19-20H2,1H3/t27-,28+/m0/s1
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| InChIKey |
MJJYDSNIHQTGEG-WUFINQPMSA-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