General Information of the Compound
| Compound ID |
CP0499614
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| Compound Name |
US9346786, 64
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| Structure |
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| Formula |
C31H33F3N4O5S
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| Molecular Weight |
630.689
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)S(C)(=O)=O)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C31H33F3N4O5S/c1-3-38(31(40)43-23-7-5-22(32)6-8-23)28-19-37(18-25(28)21-4-10-26(33)27(34)16-21)30(39)20-12-14-36(15-13-20)29-11-9-24(17-35-29)44(2,41)42/h4-11,16-17,20,25,28H,3,12-15,18-19H2,1-2H3/t25-,28+/m0/s1
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| InChIKey |
ANPWBSCMPPLABL-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