General Information of the Compound
| Compound ID |
CP0217863
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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-2-yl)phenyl]butan-2-yl]propanamide
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| Structure |
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| Formula |
C32H42N4O3S
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| Molecular Weight |
562.78
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| Canonical SMILES |
CCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C32H42N4O3S/c1-5-28(38)36-25(16-21-8-6-9-23(14-21)30-33-12-13-40-30)27(37)20-34-26-18-32(10-7-11-32)39-29-24(26)15-22(19-35-29)17-31(2,3)4/h6,8-9,12-15,19,25-27,34,37H,5,7,10-11,16-18,20H2,1-4H3,(H,36,38)/t25-,26-,27+/m0/s1
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| InChIKey |
MRNBFGIRQWINAX-GMQQYTKMSA-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