General Information of the Compound
| Compound ID |
CP0399963
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| Compound Name |
N-[[3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C27H29N3O3
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| Molecular Weight |
443.547
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| Canonical SMILES |
C[C@H]1CN(Cc2cccc(c2)-c2cccc(CNC(=O)c3ccc4OCOc4c3)c2)CCN1
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| InChI |
InChI=1S/C27H29N3O3/c1-19-16-30(11-10-28-19)17-21-5-3-7-23(13-21)22-6-2-4-20(12-22)15-29-27(31)24-8-9-25-26(14-24)33-18-32-25/h2-9,12-14,19,28H,10-11,15-18H2,1H3,(H,29,31)/t19-/m0/s1
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| InChIKey |
WSSGFZYQWZJJNG-IBGZPJMESA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound