General Information of the Compound
| Compound ID |
CP0298226
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| Compound Name |
N-[(2S)-1-[[1-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylindazol-4-yl]amino]propan-2-yl]cyclopropanesulfonamide
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| Structure |
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| Formula |
C27H35N5O4S
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| Molecular Weight |
525.675
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| Canonical SMILES |
C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)N1CCCC(CO)C1)NS(=O)(=O)C1CC1
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| InChI |
InChI=1S/C27H35N5O4S/c1-18-11-25(28-14-19(2)30-37(35,36)23-8-9-23)24-15-29-32(26(24)12-18)22-7-3-6-21(13-22)27(34)31-10-4-5-20(16-31)17-33/h3,6-7,11-13,15,19-20,23,28,30,33H,4-5,8-10,14,16-17H2,1-2H3/t19-,20?/m0/s1
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| InChIKey |
ZIHYVPFFLXVPAO-XJDOXCRVSA-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