General Information of the Compound
| Compound ID |
CP0492044
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| Compound Name |
[4-[(2S)-2-acetamido-3-[[(2S)-1-[[(2R)-1-(2-cyclohexylethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate
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| Structure |
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| Formula |
C27H43N4O8P
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| Molecular Weight |
582.635
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H](C)C(=O)NCCC1CCCCC1
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| InChI |
InChI=1S/C27H43N4O8P/c1-17(2)24(27(35)29-18(3)25(33)28-15-14-20-8-6-5-7-9-20)31-26(34)23(30-19(4)32)16-21-10-12-22(13-11-21)39-40(36,37)38/h10-13,17-18,20,23-24H,5-9,14-16H2,1-4H3,(H,28,33)(H,29,35)(H,30,32)(H,31,34)(H2,36,37,38)/t18-,23+,24+/m1/s1
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| InChIKey |
ROPOWZAPSWBVGM-DKLXNKCPSA-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: PT00879, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT01071, Tyrosine-protein kinase ABL1