General Information of the Compound
| Compound ID |
CP0153593
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| Compound Name |
2-methyl-N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
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| Structure |
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| Formula |
C28H38N4O
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| Molecular Weight |
446.639
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| Canonical SMILES |
CN1CCc2c(C1)cccc2C(=O)NCC1(CCCCC1)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C28H38N4O/c1-30-16-13-25-23(21-30)9-8-12-26(25)27(33)29-22-28(14-6-3-7-15-28)32-19-17-31(18-20-32)24-10-4-2-5-11-24/h2,4-5,8-12H,3,6-7,13-22H2,1H3,(H,29,33)
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| InChIKey |
DIKKTLPJDURHSW-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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