General Information of the Compound
| Compound ID |
CP0057103
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| Compound Name |
(2R)-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]-2-fluoropropanamide
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| Structure |
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| Formula |
C30H40FN3O5
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| Molecular Weight |
541.664
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| Canonical SMILES |
C[C@@H](F)C(=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/C30H40FN3O5/c1-18(31)27(36)34-22(11-19-6-7-25-26(12-19)38-17-37-25)24(35)16-32-23-14-30(8-5-9-30)39-28-21(23)10-20(15-33-28)13-29(2,3)4/h6-7,10,12,15,18,22-24,32,35H,5,8-9,11,13-14,16-17H2,1-4H3,(H,34,36)/t18-,22+,23+,24-/m1/s1
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| InChIKey |
KCMGCUJYXNVZQQ-IBURTVSXSA-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