General Information of the Compound
| Compound ID |
CP0266610
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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]pyridine-3-carboxamide
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| Structure |
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| Formula |
C33H40N4O5
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| Molecular Weight |
572.706
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| Canonical SMILES |
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3cccnc3)c2c1
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| InChI |
InChI=1S/C33H40N4O5/c1-32(2,3)15-22-12-24-26(16-33(9-5-10-33)42-31(24)36-17-22)35-19-27(38)25(37-30(39)23-6-4-11-34-18-23)13-21-7-8-28-29(14-21)41-20-40-28/h4,6-8,11-12,14,17-18,25-27,35,38H,5,9-10,13,15-16,19-20H2,1-3H3,(H,37,39)/t25-,26-,27+/m0/s1
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| InChIKey |
DEZCGBNUMKGKRI-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