General Information of the Compound
| Compound ID |
CP0578652
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| Compound Name |
CHEMBL5197691
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| Formula |
C26H31ClN6O2
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| Molecular Weight |
495.027
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| Canonical SMILES |
Cc1ccc2ccc(N[C@H]3CC[C@H](CNc4ncc(CC(=O)NC5COC5)cn4)CC3)nc2c1Cl
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| InChI |
InChI=1S/C26H31ClN6O2/c1-16-2-5-19-6-9-22(33-25(19)24(16)27)31-20-7-3-17(4-8-20)11-28-26-29-12-18(13-30-26)10-23(34)32-21-14-35-15-21/h2,5-6,9,12-13,17,20-21H,3-4,7-8,10-11,14-15H2,1H3,(H,31,33)(H,32,34)(H,28,29,30)/t17-,20-
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| InChIKey |
KDSSWWNSJXWTGO-IRJFHVNHSA-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