General Information of the Compound
| Compound ID |
CP0355148
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| Compound Name |
US10308660, Example 18
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| Structure |
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| Formula |
C21H27F3N6OS
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| Molecular Weight |
468.549
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| Canonical SMILES |
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(Sc2cccnc2C(F)(F)F)c(=O)n1C
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| InChI |
InChI=1S/C21H27F3N6OS/c1-12-10-14(25)20(11-12)5-8-30(9-6-20)19-28-17(26)15(18(31)29(19)2)32-13-4-3-7-27-16(13)21(22,23)24/h3-4,7,12,14H,5-6,8-11,25-26H2,1-2H3/t12-,14+/m0/s1
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| InChIKey |
YASURKJIUFJZHZ-GXTWGEPZSA-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