General Information of the Compound
| Compound ID |
CP0506672
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| Compound Name |
2-benzylamino-3-(3,4-dichlorobenzyloxy)-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-yl-(2S)-propan-1-one
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| Structure |
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| Formula |
C30H32Cl2N2O2
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| Molecular Weight |
523.504
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| Canonical SMILES |
Clc1ccc(COC[C@H](NCc2ccccc2)C(=O)N2CCC3(CCc4ccccc34)CC2)cc1Cl
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| InChI |
InChI=1S/C30H32Cl2N2O2/c31-26-11-10-23(18-27(26)32)20-36-21-28(33-19-22-6-2-1-3-7-22)29(35)34-16-14-30(15-17-34)13-12-24-8-4-5-9-25(24)30/h1-11,18,28,33H,12-17,19-21H2/t28-/m0/s1
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| InChIKey |
NWOPKTPNIIHJFE-NDEPHWFRSA-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