General Information of the Compound
| Compound ID |
CP0077077
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| Compound Name |
N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine
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| Structure |
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| Formula |
C25H33N7S
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| Molecular Weight |
463.655
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| Canonical SMILES |
CN(C)CCN1CCN(CC1)c1nc(nc2CCN(Cc3ccsc3)Cc12)-c1ccccn1
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| InChI |
InChI=1S/C25H33N7S/c1-29(2)10-11-30-12-14-32(15-13-30)25-21-18-31(17-20-7-16-33-19-20)9-6-22(21)27-24(28-25)23-5-3-4-8-26-23/h3-5,7-8,16,19H,6,9-15,17-18H2,1-2H3
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| InChIKey |
CJBXDWSNSYTYRP-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