General Information of the Compound
| Compound ID |
CP0372858
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| Compound Name |
3-(cyclohexylmethyl)-8-(diphenylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C33H39N3O
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| Molecular Weight |
493.695
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| Canonical SMILES |
O=C1N(CC2CCCCC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H39N3O/c37-32-33(36(30-19-11-4-12-20-30)26-35(32)25-27-13-5-1-6-14-27)21-23-34(24-22-33)31(28-15-7-2-8-16-28)29-17-9-3-10-18-29/h2-4,7-12,15-20,27,31H,1,5-6,13-14,21-26H2
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| InChIKey |
KBHDMWWWVBHMBD-UHFFFAOYSA-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: PT01360, Nociceptin receptor