General Information of the Compound
| Compound ID |
CP0570269
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| Compound Name |
methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C22H31N5O4
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| Molecular Weight |
429.521
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| Canonical SMILES |
COC(=O)NCCCn1cc([C@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12
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| InChI |
InChI=1S/C22H31N5O4/c1-15(27(16-6-7-16)21(28)19-13-23-10-12-31-19)18-14-26(11-4-9-25-22(29)30-2)20-17(18)5-3-8-24-20/h3,5,8,14-16,19,23H,4,6-7,9-13H2,1-2H3,(H,25,29)/t15-,19+/m0/s1
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| InChIKey |
LKUGETCFXYSPQB-HNAYVOBHSA-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