General Information of the Compound
| Compound ID |
CP0401757
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| Compound Name |
CHEMBL1209281
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| Formula |
C23H26N4S
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| Molecular Weight |
390.556
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| Canonical SMILES |
Cc1cc(C)cc(CN2C[C@H]3[C@@H](CNc4nc(cs4)-c4ccccn4)[C@H]3C2)c1
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| InChI |
InChI=1S/C23H26N4S/c1-15-7-16(2)9-17(8-15)11-27-12-19-18(20(19)13-27)10-25-23-26-22(14-28-23)21-5-3-4-6-24-21/h3-9,14,18-20H,10-13H2,1-2H3,(H,25,26)/t18-,19+,20-
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| InChIKey |
ALFLSQUKTSQRFV-ACDBMABISA-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