General Information of the Compound
| Compound ID |
CP0525466
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| Compound Name |
CHEMBL17632
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| Formula |
C22H27N5O2S
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| Molecular Weight |
425.558
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| Canonical SMILES |
CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ccccc2n1
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| InChI |
InChI=1S/C22H27N5O2S/c1-30(28,29)23-15-16-11-13-18(14-12-16)25-22-26-20-10-6-5-9-19(20)21(27-22)24-17-7-3-2-4-8-17/h2-10,16,18,23H,11-15H2,1H3,(H2,24,25,26,27)/t16-,18-
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| InChIKey |
PNNRKONAXBDINP-SAABIXHNSA-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