General Information of the Compound
| Compound ID |
CP0456165
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| Compound Name |
CHEMBL3623053
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| Formula |
C25H27N5O3S
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| Molecular Weight |
477.59
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| Canonical SMILES |
COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)Nc1ncccn1)c1ccccc1)=NS2(=O)=O
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| InChI |
InChI=1S/C25H27N5O3S/c1-33-20-9-5-10-21-22(20)23(30-34(21,31)32)28-17-25(18-7-3-2-4-8-18)13-11-19(12-14-25)29-24-26-15-6-16-27-24/h2-10,15-16,19H,11-14,17H2,1H3,(H,28,30)(H,26,27,29)/t19-,25-
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| InChIKey |
HPNMBDREXVAELJ-FEHRVWHQSA-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