General Information of the Compound
| Compound ID |
CP0175273
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| Compound Name |
3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide
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| Structure |
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| Formula |
C26H30N4O6S
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| Molecular Weight |
526.615
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| Canonical SMILES |
COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C26H30N4O6S/c1-36-23-11-7-20(8-12-23)15-17-30(18-16-25(31)29-33)37(34,35)24-13-9-22(10-14-24)28-26(32)27-19-21-5-3-2-4-6-21/h2-14,33H,15-19H2,1H3,(H,29,31)(H2,27,28,32)
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| InChIKey |
RTOXIYMJLZFAIX-UHFFFAOYSA-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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