General Information of the Compound
| Compound ID |
CP0529483
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| Compound Name |
US9290488, C20a(ii)
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| Formula |
C30H38N4O4
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| Molecular Weight |
518.658
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| Canonical SMILES |
CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2COC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@H]2C(O)=O)c1=O
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| InChI |
InChI=1S/C30H38N4O4/c1-30-14-17-8-18(30)10-19(30)11-20(9-17)33-22-12-21(13-23(33)16-38-15-22)34-25-5-3-2-4-24(25)31-27(28(34)35)32-7-6-26(32)29(36)37/h2-5,17-23,26H,6-16H2,1H3,(H,36,37)/t17-,18+,19+,20-,21-,22-,23+,26+,30?/m1/s1
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| InChIKey |
WNIKNGMOHBBZMW-ZXDPNDLZSA-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
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor