General Information of the Compound
| Compound ID |
CP0967223
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| Compound Name |
trans-4-(tert-Butyl)-N-(3-(7-fluoro-5-oxo-1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)propyl)cyclohexane-1-carboxamide
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| Formula |
C23H30FN5O2S
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| Molecular Weight |
459.591
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@H](C(=O)NCCCn2c(=O)c3cc(F)ccc3n3c(=S)[nH]nc23)CC1
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| InChI |
InChI=1S/C23H30FN5O2S/c1-23(2,3)15-7-5-14(6-8-15)19(30)25-11-4-12-28-20(31)17-13-16(24)9-10-18(17)29-21(28)26-27-22(29)32/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,25,30)(H,27,32)/t14-,15-
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| InChIKey |
PCSIMIBXZWTDIC-SHTZXODSSA-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