General Information of the Compound
| Compound ID |
CP0391217
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| Compound Name |
CHEMBL4646383
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| Formula |
C28H36N6O2
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| Molecular Weight |
488.636
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCCCC2)CC1)-c1ccnc(N)c1
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| InChI |
InChI=1S/C28H36N6O2/c1-2-36-28(35)22-17-31-24-11-10-23(20-12-13-30-25(29)16-20)33-27(24)26(22)32-21-8-6-19(7-9-21)18-34-14-4-3-5-15-34/h10-13,16-17,19,21H,2-9,14-15,18H2,1H3,(H2,29,30)(H,31,32)/t19-,21-
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| InChIKey |
WMMSBMCEQSSTDV-XUTJKUGGSA-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