General Information of the Compound
| Compound ID |
CP0109768
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| Compound Name |
N-[1-[6-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-N-ethylacetamide
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| Structure |
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| Formula |
C27H31ClN6O
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| Molecular Weight |
491.039
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| Canonical SMILES |
CCN(C1CCN(C1)c1nc(nc2CCN(Cc3ccc(Cl)cc3)Cc12)-c1ccccn1)C(C)=O
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| InChI |
InChI=1S/C27H31ClN6O/c1-3-34(19(2)35)22-11-15-33(17-22)27-23-18-32(16-20-7-9-21(28)10-8-20)14-12-24(23)30-26(31-27)25-6-4-5-13-29-25/h4-10,13,22H,3,11-12,14-18H2,1-2H3
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| InChIKey |
RCVHXJROXGXLON-UHFFFAOYSA-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