General Information of the Compound
| Compound ID |
CP0488226
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| Compound Name |
(2S,3R)-2-(tert-butylcarbamoylamino)-N-[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-3-[(2-methylpropan-2-yl)oxy]butanamide
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| Structure |
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| Formula |
C29H51N5O6
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| Molecular Weight |
565.756
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| Canonical SMILES |
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
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| InChI |
InChI=1S/C29H51N5O6/c1-18(40-29(5,6)7)23(33-27(39)34-28(2,3)4)26(38)32-22(15-19-11-9-8-10-12-19)25(37)31-21(17-35)16-20-13-14-30-24(20)36/h17-23H,8-16H2,1-7H3,(H,30,36)(H,31,37)(H,32,38)(H2,33,34,39)/t18-,20+,21+,22+,23+/m1/s1
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| InChIKey |
IXCQPCDXJPVNAD-PMAMDCHESA-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