General Information of the Compound
| Compound ID |
CP0001044
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| Compound Name |
[(2S)-1-methylpyrrolidin-2-yl]methyl 4-chlorobenzoate
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| Structure |
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| Formula |
C13H16ClNO2
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| Molecular Weight |
253.729
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| Canonical SMILES |
CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C13H16ClNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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| InChIKey |
SITVIGRZUIUBEV-LBPRGKRZSA-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