General Information of the Compound
| Compound ID |
CP0383306
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| Compound Name |
N-[4-[(3aS,9bS)-6-methoxy-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-3-yl]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C30H34N2O2
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| Molecular Weight |
454.614
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| Canonical SMILES |
COc1cccc2[C@@H]3CCN(CCCCNC(=O)c4ccc(cc4)-c4ccccc4)[C@H]3CCc12
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| InChI |
InChI=1S/C30H34N2O2/c1-34-29-11-7-10-25-26-18-21-32(28(26)17-16-27(25)29)20-6-5-19-31-30(33)24-14-12-23(13-15-24)22-8-3-2-4-9-22/h2-4,7-15,26,28H,5-6,16-21H2,1H3,(H,31,33)/t26-,28-/m0/s1
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| InChIKey |
IZGMMZZMWKKGGX-XCZPVHLTSA-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