General Information of the Compound
| Compound ID |
CP0576158
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| Compound Name |
(2S)-2-[[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]amino]-4,4-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide
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| Structure |
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| Formula |
C25H45N5O5
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| Molecular Weight |
495.665
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| Canonical SMILES |
CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
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| InChI |
InChI=1S/C25H45N5O5/c1-23(2,3)13-17(20(33)27-16(14-31)12-15-10-11-26-19(15)32)28-21(34)18(24(4,5)6)29-22(35)30-25(7,8)9/h14-18H,10-13H2,1-9H3,(H,26,32)(H,27,33)(H,28,34)(H2,29,30,35)/t15-,16-,17-,18+/m0/s1
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| InChIKey |
SUHXMVFLANNBLT-XLAORIBOSA-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