General Information of the Compound
| Compound ID |
CP0483705
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| Compound Name |
4-(1-Benzo[b]thiophen-5-ylmethyl-piperidin-4-ylamino)-6-chloro-chromen-2-one
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| Structure |
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| Formula |
C23H21ClN2O2S
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| Molecular Weight |
424.953
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| Canonical SMILES |
Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5sccc5c4)CC3)c2c1
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| InChI |
InChI=1S/C23H21ClN2O2S/c24-17-2-3-21-19(12-17)20(13-23(27)28-21)25-18-5-8-26(9-6-18)14-15-1-4-22-16(11-15)7-10-29-22/h1-4,7,10-13,18,25H,5-6,8-9,14H2
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| InChIKey |
MHJBIYWKMDQWTP-UHFFFAOYSA-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