General Information of the Compound
| Compound ID |
CP0109470
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| Compound Name |
3-({[(1S)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-
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| Structure |
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| Formula |
C24H25N3O2
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| Molecular Weight |
387.483
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| Canonical SMILES |
CN(c1ccccc1)c1ccc2[C@H](CNc3cnccc3C(O)=O)CCCc2c1
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| InChI |
InChI=1S/C24H25N3O2/c1-27(19-8-3-2-4-9-19)20-10-11-21-17(14-20)6-5-7-18(21)15-26-23-16-25-13-12-22(23)24(28)29/h2-4,8-14,16,18,26H,5-7,15H2,1H3,(H,28,29)/t18-/m0/s1
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| InChIKey |
XSMABFRQESMONQ-SFHVURJKSA-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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