General Information of the Compound
| Compound ID |
CP0207768
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| Compound Name |
(3S,6R,9S,12R)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-9-(7,7,8,8,8-pentafluoro-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
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| Structure |
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| Formula |
C31H41F5N4O6
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| Molecular Weight |
660.681
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)C(F)(F)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O
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| InChI |
InChI=1S/C31H41F5N4O6/c1-4-18(2)25-29(45)40-16-8-10-23(40)28(44)37-21(9-6-5-7-11-24(41)30(32,33)31(34,35)36)26(42)38-22(27(43)39-25)17-19-12-14-20(46-3)15-13-19/h12-15,18,21-23,25H,4-11,16-17H2,1-3H3,(H,37,44)(H,38,42)(H,39,43)/t18-,21-,22+,23+,25-/m0/s1
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| InChIKey |
IUIMYSRITOISQV-GXCCDKSUSA-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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