General Information of the Compound
| Compound ID |
CP0827680
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| Compound Name |
MMV1302090
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| Formula |
C22H23N5S
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| Molecular Weight |
389.528
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| Canonical SMILES |
Cc1ccc(-c2cs/c(=N\c3cccnc3)n2CCCn2ccnc2)cc1C
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| InChI |
InChI=1S/C22H23N5S/c1-17-6-7-19(13-18(17)2)21-15-28-22(25-20-5-3-8-23-14-20)27(21)11-4-10-26-12-9-24-16-26/h3,5-9,12-16H,4,10-11H2,1-2H3/b25-22-
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| InChIKey |
MPCUQHIXOGXGKI-LVWGJNHUSA-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