General Information of the Compound
| Compound ID |
CP0540018
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| Compound Name |
US9346786, 48
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| Structure |
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| Formula |
C31H30F3N5O3
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| Molecular Weight |
577.607
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C31H30F3N5O3/c1-2-39(31(41)42-24-7-5-23(32)6-8-24)28-19-38(18-25(28)22-4-9-26(33)27(34)15-22)30(40)21-11-13-37(14-12-21)29-10-3-20(16-35)17-36-29/h3-10,15,17,21,25,28H,2,11-14,18-19H2,1H3/t25-,28+/m0/s1
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| InChIKey |
XCSLRZXYBMAUQR-LBNVMWSVSA-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