General Information of the Compound
| Compound ID |
CP0528891
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| Compound Name |
CHEMBL161694
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| Formula |
C18H22N4O
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| Molecular Weight |
310.401
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| Canonical SMILES |
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(Cc3nc(C)no3)cc12
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| InChI |
InChI=1S/C18H22N4O/c1-11-20-18(23-21-11)7-12-4-5-17-15(6-12)16(10-19-17)13-8-14(9-13)22(2)3/h4-6,10,13-14,19H,7-9H2,1-3H3/t13-,14-
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| InChIKey |
OLBCZDIVUFQNTI-HDJSIYSDSA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D