General Information of the Compound
| Compound ID |
CP0327175
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| Compound Name |
3-[[(1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C23H22N2O2S
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| Molecular Weight |
390.508
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| Canonical SMILES |
OC(=O)c1ccncc1NC[C@@H]1CCCc2cc(Sc3ccccc3)ccc12
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| InChI |
InChI=1S/C23H22N2O2S/c26-23(27)21-11-12-24-15-22(21)25-14-17-6-4-5-16-13-19(9-10-20(16)17)28-18-7-2-1-3-8-18/h1-3,7-13,15,17,25H,4-6,14H2,(H,26,27)/t17-/m0/s1
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| InChIKey |
DZVIPXUKOHSZJK-KRWDZBQOSA-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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Table of Molecular Bioactivities Related to the Compound