General Information of the Compound
| Compound ID |
CP0087521
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| Compound Name |
(3S)-3-[(1R)-2-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-1-hydroxyethyl]-4-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-5-one
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| Structure |
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| Formula |
C30H40N2O3
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| Molecular Weight |
476.661
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| Canonical SMILES |
CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@@H]3Cc4cccc(CCCCCC(=O)N3)c4)c2c1
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| InChI |
InChI=1S/C30H40N2O3/c1-2-21-12-13-28-24(17-21)26(19-30(35-28)14-7-15-30)31-20-27(33)25-18-23-10-6-9-22(16-23)8-4-3-5-11-29(34)32-25/h6,9-10,12-13,16-17,25-27,31,33H,2-5,7-8,11,14-15,18-20H2,1H3,(H,32,34)/t25-,26-,27+/m0/s1
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| InChIKey |
NBQYLPUAIAOJMA-GMQQYTKMSA-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