General Information of the Compound
| Compound ID |
CP0399090
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| Compound Name |
tert-butyl (2S)-2-[[4-[7-methyl-6-(3-morpholin-4-ylpropylcarbamoyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C31H41N7O5
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| Molecular Weight |
591.713
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| Canonical SMILES |
Cn1c(cc2c(ncnc12)-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1)C(=O)NCCCN1CCOCC1
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| InChI |
InChI=1S/C31H41N7O5/c1-31(2,3)43-30(41)38-14-5-7-24(38)29(40)35-22-10-8-21(9-11-22)26-23-19-25(36(4)27(23)34-20-33-26)28(39)32-12-6-13-37-15-17-42-18-16-37/h8-11,19-20,24H,5-7,12-18H2,1-4H3,(H,32,39)(H,35,40)/t24-/m0/s1
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| InChIKey |
SAZWUTUBXPYLSU-DEOSSOPVSA-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