General Information of the Compound
| Compound ID |
CP0565873
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| Compound Name |
6-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylanilino]-6-oxohexanoic acid
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| Formula |
C25H36FN3O4
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| Molecular Weight |
461.578
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| Canonical SMILES |
C[C@H]1CN(Cc2cc(F)cc(NC(=O)CCCCC(O)=O)c2C)CCN1C(=O)C1CCCC1
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| InChI |
InChI=1S/C25H36FN3O4/c1-17-15-28(11-12-29(17)25(33)19-7-3-4-8-19)16-20-13-21(26)14-22(18(20)2)27-23(30)9-5-6-10-24(31)32/h13-14,17,19H,3-12,15-16H2,1-2H3,(H,27,30)(H,31,32)/t17-/m0/s1
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| InChIKey |
WYZJXNDOQPHHKZ-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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