General Information of the Compound
| Compound ID |
CP0916814
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| Compound Name |
(S)-3-Methyl-N1-[3-(naphthalen-1-sulfonyl)-1H-indazol-5-yl]-butane-1,2-diamine HCl
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| Structure |
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| Formula |
C22H25ClN4O2S
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| Molecular Weight |
444.988
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| Canonical SMILES |
CC(C)[C@H](N)CNc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1.Cl
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| InChI |
InChI=1S/C22H24N4O2S.ClH/c1-14(2)19(23)13-24-16-10-11-20-18(12-16)22(26-25-20)29(27,28)21-9-5-7-15-6-3-4-8-17(15)21;/h3-12,14,19,24H,13,23H2,1-2H3,(H,25,26);1H/t19-;/m1./s1
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| InChIKey |
BNBYCBKNMVKTBB-FSRHSHDFSA-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