General Information of the Compound
| Compound ID |
CP0487389
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| Compound Name |
N-[3-methoxy-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 |
C24H33BN2O5
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| Molecular Weight |
440.349
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| Canonical SMILES |
COc1cc(NC(C)=O)ccc1C(=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/C24H33BN2O5/c1-14(28)26-16-8-9-17(18(13-16)30-5)22(29)27-10-6-7-21(27)25-31-20-12-15-11-19(23(15,2)3)24(20,4)32-25/h8-9,13,15,19-21H,6-7,10-12H2,1-5H3,(H,26,28)/t15-,19-,20+,21-,24-/m0/s1
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| InChIKey |
AKWLBANFCWCWKL-PJFMLXMNSA-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