General Information of the Compound
| Compound ID |
CP0451327
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| Compound Name |
N-[10-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]decyl]bicyclo[2.2.2]octa-2,5-diene-2-carboxamide
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| Formula |
C29H42N6O5
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| Molecular Weight |
554.692
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCNC(=O)C3=CC4CCC3C=C4)ncnc12
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| InChI |
InChI=1S/C29H42N6O5/c36-16-22-24(37)25(38)29(40-22)35-18-34-23-26(32-17-33-27(23)35)30-13-7-5-3-1-2-4-6-8-14-31-28(39)21-15-19-9-11-20(21)12-10-19/h9,11,15,17-20,22,24-25,29,36-38H,1-8,10,12-14,16H2,(H,31,39)(H,30,32,33)/t19?,20?,22-,24-,25-,29-/m1/s1
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| InChIKey |
DHIPETZJOKCSCR-MUKWLTJGSA-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