General Information of the Compound
| Compound ID |
CP0909892
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| Compound Name |
5-chloro-N-(pyridin-2-ylmethyl)-2-(2-{1,8,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-yl}ethyl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C22H21ClN6OS
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| Molecular Weight |
452.971
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| Canonical SMILES |
O=C(NCc1ccccn1)c1nc(CCN2CCc3nc4ccccc4n3C2)sc1Cl
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| InChI |
InChI=1S/C22H21ClN6OS/c23-21-20(22(30)25-13-15-5-3-4-10-24-15)27-19(31-21)9-12-28-11-8-18-26-16-6-1-2-7-17(16)29(18)14-28/h1-7,10H,8-9,11-14H2,(H,25,30)
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| InChIKey |
ONVMPHKXAWVFLJ-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
Protein ID: PT06104, Solute carrier family 40 member 1
Protein ID: PT06354, Solute carrier family 40 member 1