General Information of the Compound
| Compound ID |
CP0449273
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| Compound Name |
CHEMBL160998
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| Formula |
C26H28N4O
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| Molecular Weight |
412.537
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2Cc3ccc(cc3C2)C#N)CC1)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C26H28N4O/c27-15-19-5-8-21-16-30(17-22(21)13-19)12-11-18-6-9-23(10-7-18)28-26(31)25-14-20-3-1-2-4-24(20)29-25/h1-5,8,13-14,18,23,29H,6-7,9-12,16-17H2,(H,28,31)/t18-,23-
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| InChIKey |
QCUYPKBVNBHYOZ-RXAXNXDRSA-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