General Information of the Compound
| Compound ID |
CP0475855
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| Compound Name |
3,4-Dichloro-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-benzamide
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| Formula |
C23H25Cl2N5O
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| Molecular Weight |
458.393
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| Canonical SMILES |
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc12
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| InChI |
InChI=1S/C23H25Cl2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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| InChIKey |
UGUPGQUFTPDBTH-IYBDPMFKSA-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01027, Melanin-concentrating hormone receptor 1