General Information of the Compound
| Compound ID |
CP0402413
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| Compound Name |
CHEMBL82864
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| Formula |
C28H32N4O
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| Molecular Weight |
440.591
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C28H32N4O/c29-19-21-5-8-22-12-15-32(16-13-23(22)17-21)14-11-20-6-9-25(10-7-20)30-28(33)27-18-24-3-1-2-4-26(24)31-27/h1-5,8,17-18,20,25,31H,6-7,9-16H2,(H,30,33)/t20-,25-
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| InChIKey |
MBVUGYVCCHAKHM-WBANQOEISA-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