General Information of the Compound
| Compound ID |
CP0519431
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| Compound Name |
CHEMBL4455165
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| Formula |
C25H35N5O4S
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| Molecular Weight |
501.653
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| Canonical SMILES |
O=C(NC1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)NCc1ccccn1)c1cc(on1)C1CC1
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| InChI |
InChI=1S/C25H35N5O4S/c31-25(23-15-24(34-29-23)19-6-7-19)28-21-10-13-30(14-11-21)35(32,33)17-18-4-8-20(9-5-18)27-16-22-3-1-2-12-26-22/h1-3,12,15,18-21,27H,4-11,13-14,16-17H2,(H,28,31)/t18-,20-
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| InChIKey |
YTERSHGYCMAWGL-KESTWPANSA-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