General Information of the Compound
| Compound ID |
CP0409214
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| Compound Name |
N-[4-[4-(8-oxo-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]butyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C33H32N2O2S
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| Molecular Weight |
520.698
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| Canonical SMILES |
O=C(NCCCCN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C33H32N2O2S/c36-30-22-26-9-3-4-10-28(26)31(29-15-20-38-32(29)30)24-13-18-35(19-14-24)17-6-5-16-34-33(37)27-12-11-23-7-1-2-8-25(23)21-27/h1-4,7-12,15,20-21H,5-6,13-14,16-19,22H2,(H,34,37)
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| InChIKey |
XFXJOECCOKNBMS-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor