General Information of the Compound
| Compound ID |
CP0321549
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| Compound Name |
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-methylbenzamide
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| Structure |
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| Formula |
C25H32N6O4S
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| Molecular Weight |
512.636
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| Canonical SMILES |
C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)N(C)[C@H](C)C(N)=O)NS(=O)(=O)C1CC1
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| InChI |
InChI=1S/C25H32N6O4S/c1-15-10-22(27-13-16(2)29-36(34,35)20-8-9-20)21-14-28-31(23(21)11-15)19-7-5-6-18(12-19)25(33)30(4)17(3)24(26)32/h5-7,10-12,14,16-17,20,27,29H,8-9,13H2,1-4H3,(H2,26,32)/t16-,17+/m0/s1
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| InChIKey |
JXGFNTHVYMEJNJ-DLBZAZTESA-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