General Information of the Compound
| Compound ID |
CP0532313
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| Compound Name |
methyl 3-[[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]carbamoylamino]benzoate
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| Structure |
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| Formula |
C24H33N3O3
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| Molecular Weight |
411.546
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)NC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1
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| InChI |
InChI=1S/C24H33N3O3/c1-24(2)18-8-7-17(21(24)14-18)15-27-11-9-19(10-12-27)25-23(29)26-20-6-4-5-16(13-20)22(28)30-3/h4-7,13,18-19,21H,8-12,14-15H2,1-3H3,(H2,25,26,29)/t18-,21-/m0/s1
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| InChIKey |
RPCVSKRMGOKULT-RXVVDRJESA-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