General Information of the Compound
| Compound ID |
CP0417696
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| Compound Name |
N-[2-chloro-4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]phenyl]oxan-4-amine
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| Structure |
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| Formula |
C21H22Cl2N4O
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| Molecular Weight |
417.34
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| Canonical SMILES |
Clc1cc(ccc1NC1CCOCC1)-c1ccn2c(CC3CC3)nnc2c1Cl
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| InChI |
InChI=1S/C21H22Cl2N4O/c22-17-12-14(3-4-18(17)24-15-6-9-28-10-7-15)16-5-8-27-19(11-13-1-2-13)25-26-21(27)20(16)23/h3-5,8,12-13,15,24H,1-2,6-7,9-11H2
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| InChIKey |
PMHIYAASFGVALV-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