General Information of the Compound
| Compound ID |
CP0568642
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| Compound Name |
(1R,2S,5S)-3-[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
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| Structure |
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| Formula |
C27H44N4O5
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| Molecular Weight |
504.672
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| Canonical SMILES |
CC(C)(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C2(C)C)C(C)(C)C
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| InChI |
InChI=1S/C27H44N4O5/c1-25(2,3)12-18(33)30-21(26(4,5)6)24(36)31-13-17-19(27(17,7)8)20(31)23(35)29-16(14-32)11-15-9-10-28-22(15)34/h14-17,19-21H,9-13H2,1-8H3,(H,28,34)(H,29,35)(H,30,33)/t15-,16-,17-,19-,20-,21+/m0/s1
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| InChIKey |
QUSRZGWFJYPUNG-RZCQQDKOSA-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