General Information of the Compound
| Compound ID |
CP0430879
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| Compound Name |
cinnolin-4-yl-[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-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)c1cnnc2ccccc12
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| InChI |
InChI=1S/C27H30Cl2N4O2/c1-35-26-17-33(11-8-19(26)14-18-6-7-23(28)24(29)15-18)20-9-12-32(13-10-20)27(34)22-16-30-31-25-5-3-2-4-21(22)25/h2-7,15-16,19-20,26H,8-14,17H2,1H3/t19-,26-/m1/s1
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| InChIKey |
GQAKZLNWAKJYFP-NIYFSFCBSA-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