General Information of the Compound
| Compound ID |
CP0510515
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| Compound Name |
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(4-(thiazol-5-yl)phenyl)methanone
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| Structure |
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| Formula |
C24H22N4O2S
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| Molecular Weight |
430.533
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| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cncs1
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| InChI |
InChI=1S/C24H22N4O2S/c1-16-14-27(23(29)19-5-3-18(4-6-19)22-13-25-15-31-22)10-11-28(16)24(30)20-7-2-17-8-9-26-21(17)12-20/h2-9,12-13,15-16,26H,10-11,14H2,1H3/t16-/m0/s1
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| InChIKey |
ORTRFLDHPXAUHU-INIZCTEOSA-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