General Information of the Compound
| Compound ID |
CP0152799
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| Compound Name |
2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
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| Structure |
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| Formula |
C18H19ClN4O3
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| Molecular Weight |
374.828
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1Cl)[N+]([O-])=O
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| InChI |
InChI=1S/C18H19ClN4O3/c1-21-8-10-22(11-9-21)17-7-6-13(23(25)26)12-16(17)20-18(24)14-4-2-3-5-15(14)19/h2-7,12H,8-11H2,1H3,(H,20,24)
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| InChIKey |
WOGZFCMBPXJNFI-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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