General Information of the Compound
| Compound ID |
CP0506930
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| Compound Name |
US9062048, 53
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| Formula |
C23H29F3N6O2
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| Molecular Weight |
478.519
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| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)N3CCCO3)c2c1
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| InChI |
InChI=1S/C23H29F3N6O2/c24-23(25,26)15-2-7-20-19(10-15)22(29-14-28-20)27-11-21(33)30-16-12-31(13-16)17-3-5-18(6-4-17)32-8-1-9-34-32/h2,7,10,14,16-18H,1,3-6,8-9,11-13H2,(H,30,33)(H,27,28,29)/t17-,18+
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| InChIKey |
VTPOYRPTHDRFEJ-HDICACEKSA-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