General Information of the Compound
| Compound ID |
CP0411737
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| Compound Name |
(2S)-1-[5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pentanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C21H29N5O3
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| Molecular Weight |
399.495
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(CC1)c1noc2ccccc12
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| InChI |
InChI=1S/C21H29N5O3/c22-20(28)17-7-5-11-26(17)19(27)9-3-4-10-24-12-14-25(15-13-24)21-16-6-1-2-8-18(16)29-23-21/h1-2,6,8,17H,3-5,7,9-15H2,(H2,22,28)/t17-/m0/s1
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| InChIKey |
YBZYAQDLPZJQMJ-KRWDZBQOSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7