General Information of the Compound
| Compound ID |
CP0863977
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| Compound Name |
N-[(4R,4aS,7R,7aR,12bS)-3-(Cyclopropylmethyl)-4a,9-dihydroxy-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-N-methylcinnamamide Hydrochloride
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| Structure |
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| Formula |
C30H35ClN2O4
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| Molecular Weight |
523.073
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| Canonical SMILES |
CN(C(=O)/C=C/c1ccccc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl
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| InChI |
InChI=1S/C30H34N2O4.ClH/c1-31(25(34)12-9-19-5-3-2-4-6-19)22-13-14-30(35)24-17-21-10-11-23(33)27-26(21)29(30,28(22)36-27)15-16-32(24)18-20-7-8-20;/h2-6,9-12,20,22,24,28,33,35H,7-8,13-18H2,1H3;1H/b12-9+;/t22-,24-,28+,29+,30-;/m1./s1
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| InChIKey |
BAFHTKCGWYXPMX-MFZMKTNQSA-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