General Information of the Compound
| Compound ID |
CP0579965
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| Compound Name |
US10155731, Example 270
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| Synonyms |
1399849-02-5
BDBM212579
C2M78A9V6Z
CHEMBL4110551
CS-0567609
Carbamic acid, N-(3-(3-((1R)-1-(cyclopropyl((2R)-2-morpholinylcarbonyl)amino)ethyl)-6-methyl-1H-pyrazolo(3,4-b)pyridin-1-yl)propyl)-, methyl ester
GLXC-26423
GTPL12196
HY-151111
Methyl (3-(3-((R)-1-((R)-N-cyclopropylmorpholine-2-carboxamido)ethyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)propyl)carbamate
SCHEMBL16471589
SPH-3127
SPH3127
US9278944, 270
compound 18 [PMID: 35939295]
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| Structure |
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| Formula |
C22H32N6O4
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| Molecular Weight |
444.536
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| Canonical SMILES |
COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12
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| InChI |
InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18-/m1/s1
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| InChIKey |
GRTDDIZIUSADLD-CRAIPNDOSA-N
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| CAS |
1399849-02-5
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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
Clinical Information about the Compound