General Information of the Compound
| Compound ID |
CP0531705
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| Compound Name |
N-(2-adamantylmethyl)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-2-chlorobenzamide
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| Structure |
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| Formula |
C23H32ClN3O
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| Molecular Weight |
401.982
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| Canonical SMILES |
N[C@H]1CCN(Cc2ccc(Cl)c(c2)C(=O)NCC2C3CC4CC(C3)CC2C4)C1
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| InChI |
InChI=1S/C23H32ClN3O/c24-22-2-1-14(12-27-4-3-19(25)13-27)10-20(22)23(28)26-11-21-17-6-15-5-16(8-17)9-18(21)7-15/h1-2,10,15-19,21H,3-9,11-13,25H2,(H,26,28)/t15?,16?,17?,18?,19-,21?/m0/s1
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| InChIKey |
LBKGGVDLKAHHON-WLGSGIEKSA-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