General Information of the Compound
| Compound ID |
CP0541574
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| Compound Name |
[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-(1,8-naphthyridin-2-yl)methanone
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| Structure |
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| Formula |
C27H30Cl2N4O2
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| Molecular Weight |
513.469
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| Canonical SMILES |
CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2cccnc2n1
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| InChI |
InChI=1S/C27H30Cl2N4O2/c1-35-25-17-33(12-8-20(25)15-18-4-6-22(28)23(29)16-18)21-9-13-32(14-10-21)27(34)24-7-5-19-3-2-11-30-26(19)31-24/h2-7,11,16,20-21,25H,8-10,12-15,17H2,1H3/t20-,25-/m1/s1
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| InChIKey |
AXAAKILJQSGHDI-CJFMBICVSA-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