General Information of the Compound
| Compound ID |
CP0422303
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| Compound Name |
CHEMBL2368262
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| Formula |
C21H28N4O2
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| Molecular Weight |
368.481
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| Canonical SMILES |
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12
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| InChI |
InChI=1S/C21H28N4O2/c1-21(2)19(26)25(20(27)23-21)8-7-13-5-6-18-16(9-13)17(12-22-18)14-10-15(11-14)24(3)4/h5-6,9,12,14-15,22H,7-8,10-11H2,1-4H3,(H,23,27)/t14-,15-
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| InChIKey |
VUTRHRVGOKNTJD-SHTZXODSSA-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