General Information of the Compound
| Compound ID |
CP0517997
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| Compound Name |
US9193726, 60
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| Structure |
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| Formula |
C25H26F2N4O3
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| Molecular Weight |
468.504
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3CC[C@@H](O3)c3ccc(cc3)C(C)(F)F)CCn2c1=O
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| InChI |
InChI=1S/C25H26F2N4O3/c1-16-13-30(15-28-16)20-8-9-21-23(32)29(11-12-31(21)24(20)33)14-19-7-10-22(34-19)17-3-5-18(6-4-17)25(2,26)27/h3-6,8-9,13,15,19,22H,7,10-12,14H2,1-2H3/t19-,22+/m0/s1
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| InChIKey |
XWHQAIFSBVXPAI-SIKLNZKXSA-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