General Information of the Compound
| Compound ID |
CP0086306
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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-(1,3-thiazol-4-yl)phenyl]butan-2-yl]-2-methoxyacetamide
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| Structure |
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| Formula |
C32H42N4O4S
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| Molecular Weight |
578.779
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| Canonical SMILES |
COCC(=O)N[C@@H](Cc1cccc(c1)-c1cscn1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C32H42N4O4S/c1-31(2,3)14-22-12-24-26(15-32(9-6-10-32)40-30(24)34-16-22)33-17-28(37)25(36-29(38)18-39-4)13-21-7-5-8-23(11-21)27-19-41-20-35-27/h5,7-8,11-12,16,19-20,25-26,28,33,37H,6,9-10,13-15,17-18H2,1-4H3,(H,36,38)/t25-,26-,28+/m0/s1
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| InChIKey |
PRYJXFKQLNPQBU-UNCTUWKVSA-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