General Information of the Compound
| Compound ID |
CP0399529
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| Compound Name |
(1S)-14-(2-chloropropyl)-5-methoxy-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
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| Structure |
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| Formula |
C19H22ClNO2S
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| Molecular Weight |
363.91
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| Canonical SMILES |
COc1cc2CCN3Cc4cc(CC(C)Cl)sc4C[C@H]3c2cc1O
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| InChI |
InChI=1S/C19H22ClNO2S/c1-11(20)5-14-6-13-10-21-4-3-12-7-18(23-2)17(22)8-15(12)16(21)9-19(13)24-14/h6-8,11,16,22H,3-5,9-10H2,1-2H3/t11?,16-/m0/s1
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| InChIKey |
XIZKQKJWNKJOOA-NBFOKTCDSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor