General Information of the Compound
| Compound ID |
CP0389904
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| Compound Name |
(3S)-N-[(3-morpholin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C30H38N6O5
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| Molecular Weight |
562.671
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| Canonical SMILES |
COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(c2)N2CCOCC2)cc(OC)c1OC
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| InChI |
InChI=1S/C30H38N6O5/c1-38-25-17-23(18-26(39-2)28(25)40-3)33-30-31-10-9-27(34-30)36-11-5-7-22(20-36)29(37)32-19-21-6-4-8-24(16-21)35-12-14-41-15-13-35/h4,6,8-10,16-18,22H,5,7,11-15,19-20H2,1-3H3,(H,32,37)(H,31,33,34)/t22-/m0/s1
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| InChIKey |
UDJALEUTCWTIEP-QFIPXVFZSA-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