General Information of the Compound
| Compound ID |
CP0385294
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| Compound Name |
(1S,2S,6R,14R,15R,16R)-16-[(1R)-1-cyclohexyl-1-hydroxyethyl]-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
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| Structure |
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| Formula |
C31H43NO4
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| Molecular Weight |
493.688
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C31H43NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h10-11,19,21,23-24,27,33-34H,3-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
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| InChIKey |
AWASFRPNDANHSX-JTTXIWGLSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor