General Information of the Compound
| Compound ID |
CP0255045
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| Compound Name |
N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-4-methoxybenzamide
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| Structure |
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| Formula |
C22H25Cl2N3O2
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| Molecular Weight |
434.367
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| Canonical SMILES |
COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C22H25Cl2N3O2/c1-29-18-9-7-17(8-10-18)22(28)25-11-2-3-12-26-13-15-27(16-14-26)20-6-4-5-19(23)21(20)24/h2-10H,11-16H2,1H3,(H,25,28)/b3-2+
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| InChIKey |
KQBYIQCEQDXZFW-NSCUHMNNSA-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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