General Information of the Compound
| Compound ID |
CP0524085
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| Compound Name |
N-[4-[(3aS,9bS)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-3-yl]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C29H32N2O
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| Molecular Weight |
424.588
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| Canonical SMILES |
O=C(NCCCCN1CC[C@@H]2[C@@H]1CCc1ccccc21)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C29H32N2O/c32-29(25-14-12-23(13-15-25)22-8-2-1-3-9-22)30-19-6-7-20-31-21-18-27-26-11-5-4-10-24(26)16-17-28(27)31/h1-5,8-15,27-28H,6-7,16-21H2,(H,30,32)/t27-,28-/m0/s1
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| InChIKey |
GQTWYBPXHKYSKB-NSOVKSMOSA-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