General Information of the Compound
| Compound ID |
CP0118765
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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]-6-fluoropyridine-3-carboxamide
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| Structure |
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| Formula |
C33H39FN4O5
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| Molecular Weight |
590.696
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| Canonical SMILES |
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3ccc(F)nc3)c2c1
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| InChI |
InChI=1S/C33H39FN4O5/c1-32(2,3)14-21-11-23-25(15-33(9-4-10-33)43-31(23)37-16-21)35-18-26(39)24(38-30(40)22-6-8-29(34)36-17-22)12-20-5-7-27-28(13-20)42-19-41-27/h5-8,11,13,16-17,24-26,35,39H,4,9-10,12,14-15,18-19H2,1-3H3,(H,38,40)/t24-,25-,26+/m0/s1
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| InChIKey |
GRVRRYKKHIRERQ-KKUQBAQOSA-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