General Information of the Compound
| Compound ID |
CP0542486
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| Compound Name |
(2-aminophenyl)-[(2R)-2-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C21H29BN2O3
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| Molecular Weight |
368.286
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| Canonical SMILES |
CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB(O[C@@H]1C2)[C@@H]1CCCN1C(=O)c1ccccc1N
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| InChI |
InChI=1S/C21H29BN2O3/c1-20(2)13-11-16(20)21(3)17(12-13)26-22(27-21)18-9-6-10-24(18)19(25)14-7-4-5-8-15(14)23/h4-5,7-8,13,16-18H,6,9-12,23H2,1-3H3/t13-,16-,17+,18-,21-/m0/s1
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| InChIKey |
IOIZTRSQYINERB-NGMJRVLVSA-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