General Information of the Compound
| Compound ID |
CP0521617
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| Compound Name |
US8618303, 18
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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 |
CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(nc1)C#N
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| InChI |
InChI=1S/C31H31ClFN5O3/c1-31(36(2)30(40)41-27-11-7-24(33)8-12-27)20-38(19-28(31)21-3-5-23(32)6-4-21)29(39)22-13-15-37(16-14-22)26-10-9-25(17-34)35-18-26/h3-12,18,22,28H,13-16,19-20H2,1-2H3/t28-,31+/m1/s1
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| InChIKey |
LMGPPGCBLCWVEZ-MVSFAKPFSA-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