General Information of the Compound
| Compound ID |
CP0363575
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| Compound Name |
2-(2-acetamidopyridin-4-yl)-4-(cyclopropylmethoxy)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]-1,3-thiazole-5-carboxamide
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| Formula |
C31H34N6O3S
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| Molecular Weight |
570.719
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| Canonical SMILES |
CC(=O)Nc1cc(ccn1)-c1nc(OCC2CC2)c(s1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12
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| InChI |
InChI=1S/C31H34N6O3S/c1-19(38)35-26-17-21(13-16-32-26)31-37-30(40-18-20-11-12-20)28(41-31)29(39)34-15-6-14-33-27-22-7-2-4-9-24(22)36-25-10-5-3-8-23(25)27/h2,4,7,9,13,16-17,20H,3,5-6,8,10-12,14-15,18H2,1H3,(H,33,36)(H,34,39)(H,32,35,38)
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| InChIKey |
VMJFCOMMBQFXOH-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