General Information of the Compound
| Compound ID |
CP0387432
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| Compound Name |
N-[(2,3-dichloro-4-pyrazin-2-ylphenyl)methyl]-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 |
C33H33Cl2N7O
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| Molecular Weight |
614.581
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| Canonical SMILES |
Cc1cc(ncn1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)NCc1ccc(c(Cl)c1Cl)-c1cnccn1
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| InChI |
InChI=1S/C33H33Cl2N7O/c1-21-14-27(40-20-39-21)23-2-5-25-22(15-23)4-7-29(25)42-18-33(19-42)8-12-41(13-9-33)32(43)38-16-24-3-6-26(31(35)30(24)34)28-17-36-10-11-37-28/h2-3,5-6,10-11,14-15,17,20,29H,4,7-9,12-13,16,18-19H2,1H3,(H,38,43)/t29-/m1/s1
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| InChIKey |
MBLCFWPQWRBQJH-GDLZYMKVSA-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