General Information of the Compound
| Compound ID |
CP0561616
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| Compound Name |
US9346786, 32
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| Structure |
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| Formula |
C31H30ClFN6O3
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| Molecular Weight |
589.071
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| Canonical SMILES |
Fc1ccc(OC(=O)N(C2CC2)[C@@H]2CN(C[C@H]2c2ccc(Cl)cc2)C(=O)C2CCN(CC2)c2ccc(nn2)C#N)cc1
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| InChI |
InChI=1S/C31H30ClFN6O3/c32-22-3-1-20(2-4-22)27-18-38(30(40)21-13-15-37(16-14-21)29-12-7-24(17-34)35-36-29)19-28(27)39(25-8-9-25)31(41)42-26-10-5-23(33)6-11-26/h1-7,10-12,21,25,27-28H,8-9,13-16,18-19H2/t27-,28+/m0/s1
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| InChIKey |
FVMXLPQOYDGNOX-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