General Information of the Compound
| Compound ID |
CP0480717
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| Compound Name |
(2S)-N-(2-methoxy-5-pyridin-4-ylpyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide
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| Structure |
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| Formula |
C28H27N5O2
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| Molecular Weight |
465.557
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| Canonical SMILES |
COc1ncc(cc1NC(=O)[C@H](Cc1ccccc1)NC1(CC1)c1ccccn1)-c1ccncc1
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| InChI |
InChI=1S/C28H27N5O2/c1-35-27-24(18-22(19-31-27)21-10-15-29-16-11-21)32-26(34)23(17-20-7-3-2-4-8-20)33-28(12-13-28)25-9-5-6-14-30-25/h2-11,14-16,18-19,23,33H,12-13,17H2,1H3,(H,32,34)/t23-/m0/s1
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| InChIKey |
IBYCTVAMYWOPHB-QHCPKHFHSA-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