General Information of the Compound
| Compound ID |
CP0377867
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| Compound Name |
N-[4-[(3aS,9bS)-6-hydroxy-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-3-yl]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C29H32N2O2
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| Molecular Weight |
440.587
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| Canonical SMILES |
Oc1cccc2[C@@H]3CCN(CCCCNC(=O)c4ccc(cc4)-c4ccccc4)[C@H]3CCc12
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| InChI |
InChI=1S/C29H32N2O2/c32-28-10-6-9-24-25-17-20-31(27(25)16-15-26(24)28)19-5-4-18-30-29(33)23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-14,25,27,32H,4-5,15-20H2,(H,30,33)/t25-,27-/m0/s1
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| InChIKey |
CYBHGHQYVGGXRB-BDYUSTAISA-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