General Information of the Compound
| Compound ID |
CP0964844
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| Compound Name |
(R)-N-(1-(1-(1H-Indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H30F4N6O3
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| Molecular Weight |
574.579
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| Canonical SMILES |
CC(C)[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)N1CCC2(CC1)C(=O)N(C)CN2c1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C28H30F4N6O3/c1-16(2)23(34-24(39)20-13-18(28(30,31)32)4-6-21(20)29)25(40)37-10-8-27(9-11-37)26(41)36(3)15-38(27)19-5-7-22-17(12-19)14-33-35-22/h4-7,12-14,16,23H,8-11,15H2,1-3H3,(H,33,35)(H,34,39)/t23-/m1/s1
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| InChIKey |
HTLMYSKXWHNOPG-HSZRJFAPSA-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