General Information of the Compound
| Compound ID |
CP0080892
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| Compound Name |
N-[(5S)-6-[4-(6-methylpyridin-2-yl)piperazin-1-yl]-6-oxo-5-[(2-phenylacetyl)amino]hexyl]prop-2-enamide
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| Structure |
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| Formula |
C27H35N5O3
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| Molecular Weight |
477.609
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| Canonical SMILES |
Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1
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| InChI |
InChI=1S/C27H35N5O3/c1-3-25(33)28-15-8-7-13-23(30-26(34)20-22-11-5-4-6-12-22)27(35)32-18-16-31(17-19-32)24-14-9-10-21(2)29-24/h3-6,9-12,14,23H,1,7-8,13,15-20H2,2H3,(H,28,33)(H,30,34)/t23-/m0/s1
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| InChIKey |
CLPJEHNKARSBTP-QHCPKHFHSA-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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