General Information of the Compound
| Compound ID |
CP0506644
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| Compound Name |
4-Methyl-N-[4-(4-phenylamino-quinazolin-2-ylamino)-cyclohexylmethyl]-benzenesulfonamide
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| Formula |
C28H31N5O2S
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| Molecular Weight |
501.656
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ccccc2n1
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| InChI |
InChI=1S/C28H31N5O2S/c1-20-11-17-24(18-12-20)36(34,35)29-19-21-13-15-23(16-14-21)31-28-32-26-10-6-5-9-25(26)27(33-28)30-22-7-3-2-4-8-22/h2-12,17-18,21,23,29H,13-16,19H2,1H3,(H2,30,31,32,33)/t21-,23-
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| InChIKey |
UHSFNUFHYHFNJG-AFARHQOCSA-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