General Information of the Compound
| Compound ID |
CP0169754
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| Compound Name |
N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C29H39N3O5
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| Molecular Weight |
509.647
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C29H39N3O5/c1-18(33)32-22(11-19-6-7-25-26(12-19)36-17-35-25)24(34)16-30-23-14-29(8-5-9-29)37-27-21(23)10-20(15-31-27)13-28(2,3)4/h6-7,10,12,15,22-24,30,34H,5,8-9,11,13-14,16-17H2,1-4H3,(H,32,33)/t22-,23-,24+/m0/s1
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| InChIKey |
KHOYMTLYNVQONU-KMDXXIMOSA-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