General Information of the Compound
| Compound ID |
CP0490991
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| Compound Name |
US9346786, 79
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| Structure |
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| Formula |
C32H30ClF2N5O4
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| Molecular Weight |
622.072
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)c1ccc(nc1)C#N)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C32H30ClF2N5O4/c1-2-40(32(43)44-25-8-5-23(34)6-9-25)29-19-39(18-26(29)21-4-10-27(33)28(35)15-21)30(41)20-11-13-38(14-12-20)31(42)22-3-7-24(16-36)37-17-22/h3-10,15,17,20,26,29H,2,11-14,18-19H2,1H3/t26-,29+/m0/s1
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| InChIKey |
XTGFHUQIWDOVFR-LITSAYRRSA-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