General Information of the Compound
| Compound ID |
CP0530685
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| Compound Name |
US9290488, K29b
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| Formula |
C30H40N4O3
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| Molecular Weight |
504.675
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| Canonical SMILES |
OC(=O)CC1CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O
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| InChI |
InChI=1S/C30H40N4O3/c35-28(36)14-21-17-32(18-21)29-30(37)34(27-8-4-3-7-26(27)31-29)25-15-22-9-10-23(16-25)33(22)24-12-19-5-1-2-6-20(11-19)13-24/h3-4,7-8,19-25H,1-2,5-6,9-18H2,(H,35,36)/t19-,20+,22-,23+,24-,25+
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| InChIKey |
KXQUUTPIFSNNLQ-KIPATQCGSA-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