General Information of the Compound
| Compound ID |
CP0571665
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| Compound Name |
methyl N-[3-[7-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]pyrrolo[2,3-b]pyrazin-5-yl]propyl]carbamate
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| Structure |
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| Formula |
C21H30N6O4
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| Molecular Weight |
430.509
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| Canonical SMILES |
COC(=O)NCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2nccnc12
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| InChI |
InChI=1S/C21H30N6O4/c1-14(27(15-4-5-15)20(28)17-12-22-9-11-31-17)16-13-26(10-3-6-25-21(29)30-2)19-18(16)23-7-8-24-19/h7-8,13-15,17,22H,3-6,9-12H2,1-2H3,(H,25,29)/t14-,17-/m1/s1
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| InChIKey |
UMHNECZGRKOOCF-RHSMWYFYSA-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