General Information of the Compound
| Compound ID |
CP0552226
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| Compound Name |
CHEMBL3745855
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| Formula |
C25H27N5O2
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| Molecular Weight |
429.524
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| Canonical SMILES |
OC[C@H]1CC[C@@H](CC1)NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
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| InChI |
InChI=1S/C25H27N5O2/c31-17-19-4-8-20(9-5-19)28-25(32)22-16-29(23-3-1-12-26-24(22)23)15-18-6-10-21(11-7-18)30-14-2-13-27-30/h1-3,6-7,10-14,16,19-20,31H,4-5,8-9,15,17H2,(H,28,32)/t19-,20-
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| InChIKey |
BOWRUUROEQIHPK-MXVIHJGJSA-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