General Information of the Compound
| Compound ID |
CP0444789
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| Compound Name |
(2R)-2-amino-N-[(2S)-3-[8-(cyclooctylmethyl)-1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-2-hydroxypropyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide
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| Structure |
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| Formula |
C38H56FN5O3
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| Molecular Weight |
649.896
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| Canonical SMILES |
CC(C)[C@@H](N)C(=O)N(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccc(C)cc1
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| InChI |
InChI=1S/C38H56FN5O3/c1-28(2)35(40)36(46)42(24-31-13-11-29(3)12-14-31)25-34(45)26-43-27-44(33-17-15-32(39)16-18-33)38(37(43)47)19-21-41(22-20-38)23-30-9-7-5-4-6-8-10-30/h11-18,28,30,34-35,45H,4-10,19-27,40H2,1-3H3/t34-,35+/m0/s1
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| InChIKey |
RHGVMMATHCBHBC-OIDHKYIRSA-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor