General Information of the Compound
| Compound ID |
CP0368451
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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]-2-fluorobenzamide
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| Structure |
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| Formula |
C34H40FN3O5
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| Molecular Weight |
589.708
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| Canonical SMILES |
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3ccccc3F)c2c1
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| InChI |
InChI=1S/C34H40FN3O5/c1-33(2,3)16-22-13-24-27(17-34(11-6-12-34)43-32(24)37-18-22)36-19-28(39)26(38-31(40)23-7-4-5-8-25(23)35)14-21-9-10-29-30(15-21)42-20-41-29/h4-5,7-10,13,15,18,26-28,36,39H,6,11-12,14,16-17,19-20H2,1-3H3,(H,38,40)/t26-,27-,28+/m0/s1
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| InChIKey |
NAPFTANQOOCSJB-HZFUHODCSA-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