General Information of the Compound
| Compound ID |
CP0944558
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| Compound Name |
Methyl (3-(((1R,2S,3S)-3-((3,5-bis(trifluoromethyl)benzyl)oxy)-2-phenylcyclohexyl)methyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)carbamate
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| Formula |
C26H26F6N4O4
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| Molecular Weight |
572.506
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| Canonical SMILES |
COC(=O)Nn1c(C[C@H]2CCC[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)n[nH]c1=O
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| InChI |
InChI=1S/C26H26F6N4O4/c1-39-24(38)35-36-21(33-34-23(36)37)12-17-8-5-9-20(22(17)16-6-3-2-4-7-16)40-14-15-10-18(25(27,28)29)13-19(11-15)26(30,31)32/h2-4,6-7,10-11,13,17,20,22H,5,8-9,12,14H2,1H3,(H,34,37)(H,35,38)/t17-,20+,22-/m1/s1
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| InChIKey |
BYQODIGIPBJPMT-PIPMEXSNSA-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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