General Information of the Compound
| Compound ID |
CP0073732
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| Compound Name |
N-[(5S)-6-[4-(6-nitropyridin-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 |
C26H32N6O5
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| Molecular Weight |
508.579
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| Canonical SMILES |
[O-][N+](=O)c1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1
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| InChI |
InChI=1S/C26H32N6O5/c1-2-24(33)27-14-7-6-11-21(28-25(34)19-20-9-4-3-5-10-20)26(35)31-17-15-30(16-18-31)22-12-8-13-23(29-22)32(36)37/h2-5,8-10,12-13,21H,1,6-7,11,14-19H2,(H,27,33)(H,28,34)/t21-/m0/s1
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| InChIKey |
NIVSSMKVJURCCV-NRFANRHFSA-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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