General Information of the Compound
| Compound ID |
CP0536449
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| Compound Name |
tert-butyl N-[(2S)-1-[4-[7-methyl-6-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-4-yl]anilino]-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C28H37N7O4
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| Molecular Weight |
535.649
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| Canonical SMILES |
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)NCCN1CCCC1
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| InChI |
InChI=1S/C28H37N7O4/c1-18(32-27(38)39-28(2,3)4)25(36)33-20-10-8-19(9-11-20)23-21-16-22(34(5)24(21)31-17-30-23)26(37)29-12-15-35-13-6-7-14-35/h8-11,16-18H,6-7,12-15H2,1-5H3,(H,29,37)(H,32,38)(H,33,36)/t18-/m0/s1
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| InChIKey |
AQUDCYSUIIFMRC-SFHVURJKSA-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