General Information of the Compound
| Compound ID |
CP0561891
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| Compound Name |
tert-butyl (2S)-2-[[4-[7-methyl-6-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C30H39N7O4
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| Molecular Weight |
561.687
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| Canonical SMILES |
Cn1c(cc2c(ncnc12)-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1)C(=O)NCCN1CCCC1
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| InChI |
InChI=1S/C30H39N7O4/c1-30(2,3)41-29(40)37-16-7-8-23(37)28(39)34-21-11-9-20(10-12-21)25-22-18-24(35(4)26(22)33-19-32-25)27(38)31-13-17-36-14-5-6-15-36/h9-12,18-19,23H,5-8,13-17H2,1-4H3,(H,31,38)(H,34,39)/t23-/m0/s1
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| InChIKey |
GOXSAAVXSUUEEM-QHCPKHFHSA-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