General Information of the Compound
| Compound ID |
CP0117325
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| Compound Name |
[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
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| Structure |
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| Formula |
C26H43N8O11P
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| Molecular Weight |
674.649
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O
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| InChI |
InChI=1S/C26H43N8O11P/c1-13(2)8-17(31-26(41)20-6-5-7-34(20)15(4)36)23(38)30-18(9-16-10-28-12-29-16)24(39)32-19(11-35)25(40)33-21(22(27)37)14(3)45-46(42,43)44/h10,12-14,17-21,35H,5-9,11H2,1-4H3,(H2,27,37)(H,28,29)(H,30,38)(H,31,41)(H,32,39)(H,33,40)(H2,42,43,44)/t14-,17+,18+,19+,20+,21+/m1/s1
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| InChIKey |
UIYQCJDQBRUFEV-FALOATQWSA-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
Protein ID: PT01252, Serine/threonine-protein kinase PLK1