General Information of the Compound
| Compound ID |
CP0947856
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| Compound Name |
(R)-N-(1-(1-(1H-Indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H29F3N6O4
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| Molecular Weight |
570.572
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| Canonical SMILES |
CC(C)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2c1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C28H29F3N6O4/c1-16(2)22(33-23(38)17-5-4-6-19(13-17)28(29,30)31)24(39)36-11-9-27(10-12-36)25(40)35(3)26(41)37(27)20-7-8-21-18(14-20)15-32-34-21/h4-8,13-16,22H,9-12H2,1-3H3,(H,32,34)(H,33,38)/t22-/m1/s1
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| InChIKey |
TXQTVHLHNXMKAX-JOCHJYFZSA-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