General Information of the Compound
| Compound ID |
CP0199185
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| Compound Name |
US10196374, Example 5
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| Structure |
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| Formula |
C27H27ClF2N4O3
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| Molecular Weight |
528.987
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| Canonical SMILES |
CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C27H27ClF2N4O3/c1-16(2)24(32-26(36)27(3,29)30)25(17-6-5-7-19(28)12-17)37-21-9-10-22-18(13-21)14-31-34(22)20-8-11-23(35)33(4)15-20/h5-16,24-25H,1-4H3,(H,32,36)/t24-,25+/m0/s1
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| InChIKey |
GKXKDDYZHCNTKR-LOSJGSFVSA-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