General Information of the Compound
| Compound ID |
CP0549228
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| Compound Name |
tert-butyl N-[(2S)-1-[4-[7-methyl-6-(3-morpholin-4-ylpropylcarbamoyl)pyrrolo[2,3-d]pyrimidin-4-yl]anilino]-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C29H39N7O5
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| Molecular Weight |
565.675
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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)NCCCN1CCOCC1
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| InChI |
InChI=1S/C29H39N7O5/c1-19(33-28(39)41-29(2,3)4)26(37)34-21-9-7-20(8-10-21)24-22-17-23(35(5)25(22)32-18-31-24)27(38)30-11-6-12-36-13-15-40-16-14-36/h7-10,17-19H,6,11-16H2,1-5H3,(H,30,38)(H,33,39)(H,34,37)/t19-/m0/s1
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| InChIKey |
MQIDSTYDNWIAEV-IBGZPJMESA-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