General Information of the Compound
| Compound ID |
CP0570071
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| Compound Name |
4-(cyclopropylmethoxy)-N-propyl-2-[2-[[2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetyl]amino]pyridin-4-yl]-1,3-thiazole-5-carboxamide
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| Formula |
C33H39N7O3S
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| Molecular Weight |
613.788
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| Canonical SMILES |
CCCNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccccc23)c1
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| InChI |
InChI=1S/C33H39N7O3S/c1-2-14-37-31(42)30-32(43-20-21-11-12-21)40-33(44-30)22-13-15-35-27(18-22)39-28(41)19-34-16-17-36-29-23-7-3-5-9-25(23)38-26-10-6-4-8-24(26)29/h3,5,7,9,13,15,18,21,34H,2,4,6,8,10-12,14,16-17,19-20H2,1H3,(H,36,38)(H,37,42)(H,35,39,41)
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| InChIKey |
YPWPKJLJKMSERN-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