General Information of the Compound
| Compound ID |
CP0556941
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| Compound Name |
US9090618, ZA70
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| Formula |
C29H38ClN5
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| Molecular Weight |
492.111
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| Canonical SMILES |
Cn1cc(Cl)c(n1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2
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| InChI |
InChI=1S/C29H38ClN5/c1-33-18-25(30)28(32-33)29-31-26-11-4-5-12-27(26)35(29)24-16-21-9-6-10-22(17-24)34(21)23-14-19-7-2-3-8-20(13-19)15-23/h4-5,11-12,18-24H,2-3,6-10,13-17H2,1H3/t19-,20+,21-,22+,23-,24+
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| InChIKey |
DRYMWRXUSCRHAW-SSIAJPCRSA-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