General Information of the Compound
| Compound ID |
CP0051858
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| Compound Name |
N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-4-hydroxybenzamide
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| Structure |
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| Formula |
C21H23Cl2N3O2
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| Molecular Weight |
420.34
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| Canonical SMILES |
Oc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C21H23Cl2N3O2/c22-18-4-3-5-19(20(18)23)26-14-12-25(13-15-26)11-2-1-10-24-21(28)16-6-8-17(27)9-7-16/h1-9,27H,10-15H2,(H,24,28)/b2-1+
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| InChIKey |
HQPJIWFXJJJLTM-OWOJBTEDSA-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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