General Information of the Compound
| Compound ID |
CP0552174
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-(cyclopropylmethoxy)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]-1,3-thiazole-5-carboxamide
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| Formula |
C33H36N6O3S
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| Molecular Weight |
596.757
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| Canonical SMILES |
O=C(Nc1cc(ccn1)-c1nc(OCC2CC2)c(s1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12)C1CC1
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| InChI |
InChI=1S/C33H36N6O3S/c40-30(21-12-13-21)38-27-18-22(14-17-34-27)33-39-32(42-19-20-10-11-20)29(43-33)31(41)36-16-5-15-35-28-23-6-1-3-8-25(23)37-26-9-4-2-7-24(26)28/h1,3,6,8,14,17-18,20-21H,2,4-5,7,9-13,15-16,19H2,(H,35,37)(H,36,41)(H,34,38,40)
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| InChIKey |
VVVCUWUORGMTNG-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