General Information of the Compound
| Compound ID |
CP0073007
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| Compound Name |
N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-(3-pyridin-4-ylphenyl)butan-2-yl]-2-methoxyacetamide
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| Structure |
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| Formula |
C34H44N4O4
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| Molecular Weight |
572.75
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| Canonical SMILES |
COCC(=O)N[C@@H](Cc1cccc(c1)-c1ccncc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C34H44N4O4/c1-33(2,3)18-24-16-27-29(19-34(11-6-12-34)42-32(27)37-20-24)36-21-30(39)28(38-31(40)22-41-4)17-23-7-5-8-26(15-23)25-9-13-35-14-10-25/h5,7-10,13-16,20,28-30,36,39H,6,11-12,17-19,21-22H2,1-4H3,(H,38,40)/t28-,29-,30+/m0/s1
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| InChIKey |
JSYZFOJZNAGVKR-OIFRRMEBSA-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