General Information of the Compound
| Compound ID |
CP0498263
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| Compound Name |
[4-[(2S)-2-acetamido-3-[[(2S)-1-[[(2S)-1-(dipentylamino)-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 |
C29H49N4O8P
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| Molecular Weight |
612.705
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C
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| InChI |
InChI=1S/C29H49N4O8P/c1-7-9-11-17-33(18-12-10-8-2)29(37)21(5)30-28(36)26(20(3)4)32-27(35)25(31-22(6)34)19-23-13-15-24(16-14-23)41-42(38,39)40/h13-16,20-21,25-26H,7-12,17-19H2,1-6H3,(H,30,36)(H,31,34)(H,32,35)(H2,38,39,40)/t21-,25-,26-/m0/s1
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| InChIKey |
CIABKNUIMXQZSP-MZBJOSPHSA-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