General Information of the Compound
| Compound ID |
CP0496426
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| Compound Name |
(S)-2-Benzylamino-3-(3,4-dichloro-benzyloxy)-1-(2-methanesulfonyl-2,8-diaza-spiro[4.5]dec-8-yl)-propan-1-one
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| Structure |
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| Formula |
C26H33Cl2N3O4S
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| Molecular Weight |
554.54
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| Canonical SMILES |
CS(=O)(=O)N1CCC2(C1)CCN(CC2)C(=O)[C@H](COCc1ccc(Cl)c(Cl)c1)NCc1ccccc1
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| InChI |
InChI=1S/C26H33Cl2N3O4S/c1-36(33,34)31-14-11-26(19-31)9-12-30(13-10-26)25(32)24(29-16-20-5-3-2-4-6-20)18-35-17-21-7-8-22(27)23(28)15-21/h2-8,15,24,29H,9-14,16-19H2,1H3/t24-/m0/s1
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| InChIKey |
VFXYWFFOVYLHOY-DEOSSOPVSA-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