General Information of the Compound
| Compound ID |
CP0513136
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| Compound Name |
(3S)-2-[6-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]hexanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C27H33N5O3
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| Molecular Weight |
475.593
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| Canonical SMILES |
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
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| InChI |
InChI=1S/C27H33N5O3/c28-26(34)23-18-20-8-3-4-9-21(20)19-32(23)25(33)12-2-1-7-13-30-14-16-31(17-15-30)27-22-10-5-6-11-24(22)35-29-27/h3-6,8-11,23H,1-2,7,12-19H2,(H2,28,34)/t23-/m0/s1
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| InChIKey |
PGRHLRBPVWOOBA-QHCPKHFHSA-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