General Information of the Compound
| Compound ID |
CP0389903
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| Compound Name |
(3S)-1-[2-(benzylamino)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C25H29N5O
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| Molecular Weight |
415.541
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| Canonical SMILES |
Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(NCc3ccccc3)n2)cc1
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| InChI |
InChI=1S/C25H29N5O/c1-19-9-11-21(12-10-19)16-27-24(31)22-8-5-15-30(18-22)23-13-14-26-25(29-23)28-17-20-6-3-2-4-7-20/h2-4,6-7,9-14,22H,5,8,15-18H2,1H3,(H,27,31)(H,26,28,29)/t22-/m0/s1
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| InChIKey |
MBJYQMLEOHTTNU-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
Protein ID: PT01203, ALK tyrosine kinase receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor