General Information of the Compound
| Compound ID |
CP0403472
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| Compound Name |
US8835444, 4.3
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| Formula |
C19H25ClN4O
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| Molecular Weight |
360.889
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| Canonical SMILES |
Cc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)n1
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| InChI |
InChI=1S/C19H25ClN4O/c1-12-8-13(2)24(23-12)11-15-4-6-17(7-5-15)22-19(25)18-9-16(20)10-21-14(18)3/h8-10,15,17H,4-7,11H2,1-3H3,(H,22,25)/t15-,17-
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| InChIKey |
FZPRQRQELHONGW-JCNLHEQBSA-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