General Information of the Compound
| Compound ID |
CP0564432
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| Compound Name |
N-[4-[(2R)-2-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
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| Structure |
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| Formula |
C23H31BN2O4
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| Molecular Weight |
410.323
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H]1B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
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| InChI |
InChI=1S/C23H31BN2O4/c1-14(27)25-17-9-7-15(8-10-17)21(28)26-11-5-6-20(26)24-29-19-13-16-12-18(22(16,2)3)23(19,4)30-24/h7-10,16,18-20H,5-6,11-13H2,1-4H3,(H,25,27)/t16-,18-,19+,20-,23-/m0/s1
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| InChIKey |
KGPHOBTVOTYVJX-DERWQMDGSA-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