General Information of the Compound
| Compound ID |
CP0534227
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| Compound Name |
CHEMBL4639224
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| Formula |
C26H29Cl2N5O3
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| Molecular Weight |
530.456
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| Canonical SMILES |
CCCCNC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)C(N)=O)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C26H29Cl2N5O3/c1-2-3-10-30-26(36)17-13-31-21-9-8-20(15-11-18(27)24(34)19(28)12-15)33-23(21)22(17)32-16-6-4-14(5-7-16)25(29)35/h8-9,11-14,16,34H,2-7,10H2,1H3,(H2,29,35)(H,30,36)(H,31,32)/t14-,16-
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| InChIKey |
IBLGWKRPXIYZQN-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