General Information of the Compound
| Compound ID |
CP0957645
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| Compound Name |
US8614213, 19.55
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| Formula |
C21H28ClN5O
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| Molecular Weight |
401.942
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| Canonical SMILES |
Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CNc2n[nH]c3c2CCCC3)CC1
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| InChI |
InChI=1S/C21H28ClN5O/c1-13-18(10-15(22)12-23-13)21(28)25-16-8-6-14(7-9-16)11-24-20-17-4-2-3-5-19(17)26-27-20/h10,12,14,16H,2-9,11H2,1H3,(H,25,28)(H2,24,26,27)/t14-,16-
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| InChIKey |
GYIYCRBGKVNKFJ-KOMQPUFPSA-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