General Information of the Compound
| Compound ID |
CP0400484
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| Compound Name |
US9346786, 57
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| Structure |
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| Formula |
C30H29ClF2N6O3
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| Molecular Weight |
595.05
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(nn1)C#N)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C30H29ClF2N6O3/c1-2-39(30(41)42-23-7-4-21(32)5-8-23)27-18-38(17-24(27)20-3-9-25(31)26(33)15-20)29(40)19-11-13-37(14-12-19)28-10-6-22(16-34)35-36-28/h3-10,15,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
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| InChIKey |
MQQCXOFLSOPSOQ-RPLLCQBOSA-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