General Information of the Compound
| Compound ID |
CP0553128
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| Compound Name |
N-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-3-[(6-tert-butylpyrido[3,2-d]pyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]cyclohexyl]acetamide
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| Formula |
C27H41N7O2
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| Molecular Weight |
495.672
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| Canonical SMILES |
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(nc23)C(C)(C)C)C1=O)NC(C)(C)C
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| InChI |
InChI=1S/C27H41N7O2/c1-16(35)30-20-14-17(33-27(5,6)7)8-10-21(20)34-13-12-19(25(34)36)31-24-23-18(28-15-29-24)9-11-22(32-23)26(2,3)4/h9,11,15,17,19-21,33H,8,10,12-14H2,1-7H3,(H,30,35)(H,28,29,31)/t17-,19+,20-,21+/m1/s1
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| InChIKey |
QOYZHUQEWFRBJB-PMXSJFBMSA-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