General Information of the Compound
| Compound ID |
CP0416439
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| Compound Name |
N-[(1S)-1-(2,3-dichloro-4-pyrazin-2-ylphenyl)ethyl]-2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
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| Structure |
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| Formula |
C34H35Cl2N7O
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| Molecular Weight |
628.608
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| Canonical SMILES |
C[C@H](NC(=O)N1CCC2(CN(C2)[C@@H]2CCc3cc(ccc23)-c2cc(C)ncn2)CC1)c1ccc(-c2cnccn2)c(Cl)c1Cl
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| InChI |
InChI=1S/C34H35Cl2N7O/c1-21-15-28(40-20-39-21)24-3-5-26-23(16-24)4-8-30(26)43-18-34(19-43)9-13-42(14-10-34)33(44)41-22(2)25-6-7-27(32(36)31(25)35)29-17-37-11-12-38-29/h3,5-7,11-12,15-17,20,22,30H,4,8-10,13-14,18-19H2,1-2H3,(H,41,44)/t22-,30+/m0/s1
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| InChIKey |
YSWNYLRSBAWRNO-SMSORMJASA-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