General Information of the Compound
| Compound ID |
CP0860109
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| Compound Name |
1-(3-(5-(dimethylamino)naphthalene-1-sulfonamido)propyl)-N-((endo)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
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| Formula |
C32H40N6O3S
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| Molecular Weight |
588.778
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| Canonical SMILES |
CN(C)c1cccc2c(S(=O)(=O)NCCCn3nc(C(=O)N[C@H]4C[C@H]5CCC[C@@H](C4)N5C)c4ccccc43)cccc12
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| InChI |
InChI=1S/C32H40N6O3S/c1-36(2)28-16-7-14-26-25(28)13-8-17-30(26)42(40,41)33-18-9-19-38-29-15-5-4-12-27(29)31(35-38)32(39)34-22-20-23-10-6-11-24(21-22)37(23)3/h4-5,7-8,12-17,22-24,33H,6,9-11,18-21H2,1-3H3,(H,34,39)/t22-,23+,24-
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| InChIKey |
XPDKHWGJPIAGSI-BKFWDETESA-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