General Information of the Compound
| Compound ID |
CP0502412
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| Compound Name |
CHEMBL2368255
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| Formula |
C19H24N4O2
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| Molecular Weight |
340.427
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| Canonical SMILES |
CC1(C)NC(=O)N(CCc2ccc3[nH]cc([C@H]4C[C@H](N)C4)c3c2)C1=O
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| InChI |
InChI=1S/C19H24N4O2/c1-19(2)17(24)23(18(25)22-19)6-5-11-3-4-16-14(7-11)15(10-21-16)12-8-13(20)9-12/h3-4,7,10,12-13,21H,5-6,8-9,20H2,1-2H3,(H,22,25)/t12-,13-
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| InChIKey |
YKKNEWJGMYTISV-JOCQHMNTSA-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