General Information of the Compound
| Compound ID |
CP0164757
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| Compound Name |
4-hydroxy-7-[2-[2-[3-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C27H29N3O2S
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| Molecular Weight |
459.615
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| Canonical SMILES |
Oc1ccc(CCNCCc2cccc(CN[C@H]3C[C@@H]3c3ccccc3)c2)c2sc(=O)[nH]c12
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| InChI |
InChI=1S/C27H29N3O2S/c31-24-10-9-21(26-25(24)30-27(32)33-26)12-14-28-13-11-18-5-4-6-19(15-18)17-29-23-16-22(23)20-7-2-1-3-8-20/h1-10,15,22-23,28-29,31H,11-14,16-17H2,(H,30,32)/t22-,23+/m1/s1
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| InChIKey |
CZNIURYYGSEJSM-PKTZIBPZSA-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