General Information of the Compound
| Compound ID |
CP0552054
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| Compound Name |
N-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-phenylpropanamide
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| Structure |
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| Formula |
C28H36FN3O2
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| Molecular Weight |
465.613
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| Canonical SMILES |
C[C@H]1CN(Cc2cc(F)cc(NC(=O)CCc3ccccc3)c2C)CCN1C(=O)C1CCCC1
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| InChI |
InChI=1S/C28H36FN3O2/c1-20-18-31(14-15-32(20)28(34)23-10-6-7-11-23)19-24-16-25(29)17-26(21(24)2)30-27(33)13-12-22-8-4-3-5-9-22/h3-5,8-9,16-17,20,23H,6-7,10-15,18-19H2,1-2H3,(H,30,33)/t20-/m0/s1
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| InChIKey |
FXYDTTQJNDZJFU-FQEVSTJZSA-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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