General Information of the Compound
| Compound ID |
CP0526461
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| Compound Name |
(2S)-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C20H28Cl2N4O2
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| Molecular Weight |
427.376
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C20H28Cl2N4O2/c21-15-5-3-6-16(19(15)22)25-13-11-24(12-14-25)9-2-1-8-18(27)26-10-4-7-17(26)20(23)28/h3,5-6,17H,1-2,4,7-14H2,(H2,23,28)/t17-/m0/s1
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| InChIKey |
IOKLCJAMAWQQLC-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